PKIDB: A Curated, Annotated and Updated Database of Protein Kinase
Inhibitors in Clinical Trials 
How to cite PKIDB:
Carles, F., Bourg, S., Meyer, C., and Bonnet, P. (2018). PKIDB: A Curated, Annotated and Updated Database of Protein Kinase Inhibitors in Clinical Trials. Molecules 23, 908. DOI:10.3390/molecules23040908Bournez, C., Carles, F., Peyrat, G., Aci-Sèche, S., Bourg, S., Meyer, C. and Bonnet, P. (2020). Comparative Assessment of Protein Kinase Inhibitors in Public Databases and in PKIDB. Molecules 25, 3226. DOI:10.3390/molecules25143226
Acknowledgements:
To KLIFS from Vrije Universiteit Amsterdam to link our data on their database.Latest update: 2021-10-11
Last approved inhibitors: Mobocertinib
New inhibitors this month: Conteltinib, Darovasertib, Ebvaciclib, Edralbrutinib, Izencitinib, Lorpucitinib, Luxeptinib, Mobocertinib, Naporafenib, Ropsacitinib, Seralutinib, Tasurgratinib, Vebreltinib, Zandelisib
Links to KinoMine data: Bioactivities, 3D structures and binding mode
Download sdf file: pkidb_2021-10-11.sdf
| INN_Name | BrandName | Phase | Applicants | Links | LigID | pdbID | Type | RoF | MW | LogP | TPSA | HBA | HBD | NRB | Indications | Targets | Kinase families | Canonical_Smiles | InChiKey | First_Approval | SC_Patent | Chirality | Synonyms | FDA_approved | Melting point |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Toceranib |
0 | Pfizer | ChemSpider ChEMBL PubChem RCSB PDBe ZINC FDA SRS BindingDB |
'BWC' | 6m13 | nan | 0.0 | 396.2 | 3.1 | 77.2 | 3.0 | 3.0 | 5.0 | nan | KIT | KIT | Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)/C=C\3/c4cc(ccc4NC3=O)F | SRSGVKWWVXWSJT-ATVHPVEESA-N | nan | None | Achiral Molecule | PHA-291639 TOCERANIB |
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Oclacitinib |
0 | Pfizer | ChemSpider ChEMBL Guide to Pharmacology FDA SRS BindingDB |
nan | 0.0 | 337.2 | 1.5 | 91.0 | 5.0 | 2.0 | 5.0 | nan | JAK1 JAK2 JAK3 |
Tyr | CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(c2ncnc3c2cc[nH]3)C | HJWLJNBZVZDLAQ-HAQNSBGRSA-N | nan | None | Single Stereoisomer | JAKI OCLACITINIB PF-03394197 |
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Dezapelisib |
0 | Incyte Corporation | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 421.1 | 3.7 | 100.9 | 8.0 | 2.0 | 4.0 | nan | nan | Cc1csc2n1c(=O)c(c(n2)[C@H](C)Nc3c4c([nH]cn4)ncn3)c5cccc(c5)F | RSIWALKZYXPAGW-NSHDSACASA-N | nan | None | Single Stereoisomer | DEZAPELISIB INCB040093 |
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Fisogatinib |
0 | Blueprint Medicines | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology FDA SRS |
nan | 1.0 | 502.1 | 4.5 | 94.6 | 7.0 | 2.0 | 7.0 | nan | nan | C=CC(=O)N[C@H]1CCOC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1 | MGZKYOAQVGSSGC-DLBZAZTESA-N | nan | None | Single Stereoisomer | BLU-554 BLU111362 FISOGATINIB X439161 |
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Empesertib |
1 | Bayer | ChemSpider ChEMBL PubChem RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'8QW' | 5n9s 6tnb | nan | 2.0 | 559.2 | 5.4 | 114.7 | 8.0 | 2.0 | 8.0 | nan | nan | C[C@H](c1ccc(cc1)F)C(=O)Nc2ccc(cc2)c3ccc4nc(nn4c3)Nc5ccc(cc5OC)S(=O)(=O)C | NRJKIOCCERLIDG-GOSISDBHSA-N | nan | None | Single Stereoisomer | |||||
Olafertinib |
1 | Suzhou NeuPharma | ChemSpider ChEMBL PubChem Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 1.0 | 530.2 | 4.6 | 93.6 | 7.0 | 3.0 | 8.0 | nan | nan | C=CC(=O)Nc1cccc(-c2cccc3cnc(Nc4ccc(N5CCN(CCO)CC5)c(F)c4F)nc23)c1 | IDRGFNPZDVBSSE-UHFFFAOYSA-N | nan | None | Achiral Molecule | CK-101 OLAFERTINIB RX-518 |
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Darovasertib |
1 | Novartis | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
NaN | 0.0 | 472.2 | 3.1 | 135.9 | 8.0 | 3.0 | 4.0 | nan | (*) | CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1 | XXJXHXJWQSCNPX-UHFFFAOYSA-N | NaN | None | Achiral Molecule | DAROVASERTIB IDE-196 IDE196 LXS-196 LXS196 |
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Altiratinib |
1 | Deciphera Pharmaceuticals | ChemSpider ChEMBL PubChem Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 1.0 | 510.2 | 5.0 | 109.4 | 5.0 | 3.0 | 8.0 | nan | MET TEK KDR NTRK1 |
Tyr | c1cc(ccc1NC(=O)C2(CC2)C(=O)Nc3cc(c(cc3F)Oc4ccnc(c4)NC(=O)C5CC5)F)F | GNNDEPIMDAZHRQ-UHFFFAOYSA-N | nan | None | Achiral Molecule | ALTIRATINIB DCC-2701 DP-5164 |
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Edralbrutinib |
1 | Eternity Bioscience | ChemSpider PubChem FDA SRS BindingDB |
NaN | 0.0 | 489.2 | 3.8 | 106.2 | 6.0 | 2.0 | 4.0 | nan | (*) | CC#CC(=O)N1CC[C@@H](n2cc(-c3ccc(Oc4c(F)cccc4F)cc3)c3c(N)n[nH]c(=O)c32)C1 | DNPOFZXZJJDQLB-MRXNPFEDSA-N | NaN | None | Single Stereoisomer | TG-1701 SHR1459 SHR-1459 TG1701 |
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Conteltinib |
1 | Centaurus Biopharma | ChemSpider ChEMBL PubChem Guide to Pharmacology FDA SRS BindingDB |
NaN | 2.0 | 635.3 | 3.8 | 127.0 | 11.0 | 4.0 | 10.0 | nan | (*) | COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2 | NPJCURIANJMFEO-UHFFFAOYSA-N | NaN | None | Unknown | CONTELTINIB | ||||||
Mubritinib |
1 | Takeda | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS |
nan | 1.0 | 468.2 | 6.1 | 66.0 | 6.0 | 0.0 | 10.0 | nan | EGFR ERBB2 |
Tyr | c1cc(ccc1CCCCn2ccnn2)OCc3coc(n3)/C=C/c4ccc(cc4)C(F)(F)F | ZTFBIUXIQYRUNT-MDWZMJQESA-N | nan | None | Achiral Molecule | MUBRITINIB TAK-165 |
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Alofanib |
1 | Russian Pharmaceutical Technologies | ChemSpider ChEMBL PubChem ZINC FDA SRS |
nan | 0.0 | 413.1 | 3.5 | 139.5 | 6.0 | 2.0 | 6.0 | nan | nan | Cc1cc([N+](=O)[O-])c(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1-c1cccnc1 | QUQGQIASFYWKAB-UHFFFAOYSA-N | nan | None | Achiral Molecule | ALOFANIB | ||||||
Pexmetinib |
1 | Array BioPharma | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS |
nan | 2.0 | 556.3 | 6.1 | 106.2 | 7.0 | 3.0 | 8.0 | nan | MAPK14 TEK |
Tyr CMGC |
Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCc3cc(ccc3Oc4ccc5c(c4)cnn5CCO)F | LNMRSSIMGCDUTP-UHFFFAOYSA-N | nan | None | Single Stereoisomer | ||||||
Cenisertib |
1 | EMD Serono | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 451.2 | 2.5 | 99.4 | 7.0 | 3.0 | 6.0 | nan | AURKA AURKB AURKC |
Other | Cc1cc(ccc1N2CCN(CC2)C)Nc3ncc(c(n3)N[C@@H]4[C@@H]5C[C@H]([C@@H]4C(=O)N)C=C5)F | KSOVGRCOLZZTPF-QMKUDKLTSA-N | nan | None | Racemic Mixture | AS-703569 R-763 |
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Panulisib |
1 | Piramal Enterprises | ChemSpider PubChem Guide to Pharmacology ZINC |
nan | 1.0 | 527.2 | 4.8 | 134.5 | 9.0 | 1.0 | 3.0 | nan | PIK3CA MTOR |
Atypical | CC(C)(C#N)c1ccc(cn1)n2c3c4cc(ccc4ncc3n(c2=NC#N)C)c5cc(c(nc5)N)C(F)(F)F | VJLRLTSXTLICIR-UHFFFAOYSA-N | nan | None | Single Stereoisomer | ||||||
Theliatinib |
1 | Hutchison MediPharma | ChemSpider PubChem ZINC FDA SRS |
nan | 0.0 | 442.2 | 3.5 | 82.6 | 6.0 | 2.0 | 4.0 | nan | nan | CN1CC[C@H]2[C@@H]1CN(C2)C(=O)Nc3cc4c(cc3OC)ncnc4Nc5cccc(c5)C#C | FSXCKIBROURMFT-VGSWGCGISA-N | nan | NaN | NaN | XILIERTINIB | ||||||
Selatinib |
1 | Qilu Pharmaceutical | ChemSpider ChEMBL PubChem Guide to Pharmacology FDA SRS BindingDB |
nan | 2.0 | 564.1 | 6.5 | 89.3 | 7.0 | 2.0 | 11.0 | nan | EGFR ERBB2 |
Tyr | CS(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F | OAMVGUFHZPRXOM-UHFFFAOYSA-N | nan | NaN | NaN | ||||||
Tafetinib |
1 | Nanjing Yoko Biomedical | ChemSpider ChEMBL PubChem Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 424.2 | 3.7 | 77.2 | 3.0 | 3.0 | 6.0 | nan | KDR FLT4 FLT1 |
Tyr | CCN(CC)CCNC(=O)c1c([nH]c\2c1CCC/C2=C/3\c4cc(ccc4NC3=O)F)C | KGSRYTUWXUESJK-FXBPSFAMSA-N | nan | None | Achiral Molecule | SIM 010603 SIM-010603 TAFETINIB |
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Luxeptinib |
1 | CrystalGenomics | ChemSpider ChEMBL PubChem FDA SRS BindingDB |
NaN | 1.0 | 495.1 | 5.5 | 98.9 | 3.0 | 4.0 | 4.0 | nan | (*) | Cc1c[nH]c(-c2ccc(-c3ccc(NC(=O)Nc4c(F)cc(F)cc4F)cc3F)c3c2C(=O)NC3)n1 | MWHHJYUHCZWSLS-UHFFFAOYSA-N | NaN | None | Achiral Molecule | CG'806 CG-026806 CG-806 CG026806 CG806 LUXEPTINIB |
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Henatinib |
1 | Jiangsu Hengrui Medicine | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 468.2 | 2.0 | 97.9 | 5.0 | 3.0 | 5.0 | nan | KDR | Tyr | Cc1c([nH]c2c1C(=O)N(CCC2)C[C@@H](CN3CCOCC3)O)/C=C\4/c5cc(ccc5NC4=O)F | MCTXSDCWFQAGFS-UEXNTNOUSA-N | nan | None | Single Stereoisomer | ||||||
Repotrectinib |
1 | TP Therapeutics | ChemSpider ChEMBL PubChem Guide to Pharmacology FDA SRS BindingDB |
nan | 0.0 | 355.1 | 2.6 | 80.6 | 6.0 | 2.0 | 0.0 | nan | nan | CC1CNC(=O)C2=C3N=C(C=CN3N=C2)NC(C4=C(O1)C=CC(=C4)F)C | FIKPXCOQUIZNHB-WDEREUQCSA-N | nan | None | Single Stereoisomer | REPOTRECTINIB TPX-0005 TRX-0005 |
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Lorpucitinib |
1 | Janssen | ChemSpider PubChem |
NaN | 0.0 | 408.2 | 2.9 | 119.6 | 6.0 | 3.0 | 6.0 | nan | (*) | CC(C)(O)CNC(=O)CC1=NC2=CNC3=NC=CC3=C2N1[C@@H]1CC[C@@H](CC#N)CC1 | NJKMSBSVJSQUBU-UHFFFAOYSA-N | NaN | NaN | NaN | LORPUCITINIB |
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Lifirafenib |
1 | BeiGene | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS |
'3K3' | 4r5y | nan | 1.0 | 478.1 | 5.3 | 89.1 | 5.0 | 2.0 | 3.0 | nan | nan | c1cc2c(cc1C(F)(F)F)[nH]c(n2)[C@H]3[C@H]4[C@@H]3Oc5c4cc(cc5)Oc6ccnc7c6CCC(=O)N7 | NGFFVZQXSRKHBM-FKBYEOEOSA-N | nan | None | Single Stereoisomer | BGB 283 BGB-283 LIFIRAFENIB |
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Puquitinib |
1 | Zhejiang Medicine | ChemSpider ChEMBL PubChem Guide to Pharmacology FDA SRS |
nan | 0.0 | 317.1 | 3.2 | 91.4 | 6.0 | 3.0 | 4.0 | nan | nan | c1cc2cc(ccc2nc1)Nc3nc4c(c(n3)NC5CC5)[nH]cn4 | QUTFBURLXCODBH-UHFFFAOYSA-N | nan | None | Single Stereoisomer | |||||||
Balamapimod |
1 | Wyeth | ChemSpider ChEMBL PubChem Guide to Pharmacology ZINC FDA SRS |
nan | 2.0 | 573.2 | 6.5 | 82.2 | 9.0 | 1.0 | 7.0 | nan | RAF1 MAP2K1 MAP2K2 |
TKL STE |
Cn1ccnc1Sc2ccc(cc2Cl)Nc3c4cc(c(cc4ncc3C#N)N5CCC(CC5)N6CCCC6)OC | CVAKNHIXTWLGJO-UHFFFAOYSA-N | nan | None | Achiral Molecule | BALAMAPIMOD MKI-833 |
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Zotiraciclib |
1 | S*BIO | ChemSpider ChEMBL PubChem Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 372.2 | 4.7 | 50.3 | 5.0 | 1.0 | 0.0 | nan | nan | CN1C/C=C/CCOc2cccc(c2)-c3ccnc(n3)Nc4cccc(c4)C1 | VXBAJLGYBMTJCY-NSCUHMNNSA-N | nan | None | Achiral Molecule | EX45 SB-1317 SB1317 TG-02 TG02 ZOTIRACICLIB |
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Elimusertib |
1 | Bayer | ChemSpider PubChem |
nan | 0.0 | 375.2 | 2.6 | 84.8 | 7.0 | 1.0 | 3.0 | nan | nan | CC1COCCN1c2cc(c3ccnc(c3n2)c4ccn[nH]4)c5ccnn5C | YBXRSCXGRPSTMW-UHFFFAOYSA-N | nan | None | Single Stereoisomer | BAY 1895344 BAY-1895344 BAY1895344 |
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Glumetinib |
1 | HaiHe Phaemaceutical | ChemSpider ChEMBL PubChem DrugBank FDA SRS |
nan | 1.0 | 459.1 | 2.1 | 117.8 | 11.0 | 0.0 | 4.0 | nan | nan | Cn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(-c6cnn(C)c6)cn45)c3c2)cn1 | RYBLECYFLJXEJX-UHFFFAOYSA-N | nan | None | Achiral Molecule | GLUMETINIB | ||||||
Epitinib |
1 | Hutchison MediPharma | ChemSpider PubChem ZINC FDA SRS |
nan | 0.0 | 430.2 | 3.5 | 82.6 | 6.0 | 2.0 | 5.0 | nan | nan | CCN1CCN(CC1)C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC CCN1CCN(CC1)C(=O)NC1=CC2=C(NC3C=C(C=CC=3)C#C)N=CN=C2C=C1OC | DQAZPZIYEOGZAF-UHFFFAOYSA-N | nan | None | Single Stereoisomer | HMPL-813 |
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Recilisib |
Ex-RAD;Ex-rad | 1 | Onconova Therapeutics | ChemSpider ChEMBL PubChem ZINC FDA SRS |
nan | 0.0 | 336.0 | 3.6 | 71.4 | 3.0 | 1.0 | 5.0 | nan | nan | c1cc(ccc1CS(=O)(=O)/C=C/c2ccc(cc2)C(=O)O)Cl | KBEKQQJUNVQLDZ-MDZDMXLPSA-N | nan | None | Achiral Molecule | EX-RAD ON 01210 ON 01210.NA ON-01210 RECILISIB |
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Agerafenib |
1 | Ignyta | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 2.0 | 517.2 | 5.9 | 120.6 | 8.0 | 2.0 | 7.0 | nan | nan | CC(C)(c1cc(no1)NC(=O)Nc2cccc(c2)Oc3c4cc(c(cc4ncn3)OC)OC)C(F)(F)F | DKNUPRMJNUQNHR-UHFFFAOYSA-N | nan | None | Achiral Molecule | AB-024 AC-013773 AGERAFENIB CEP-32496 RXDX 105 RXDX-105 |
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Fadraciclib |
1 | Cyclacel pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 397.3 | 3.6 | 100.8 | 8.0 | 3.0 | 8.0 | nan | nan | CC[C@@H]([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cnc(cc3C)C | DLPIYBKBHMZCJI-WBVHZDCISA-N | nan | None | Unknown | |||||||
Vebreltinib |
1 | Crown Bioscience | ChemSpider PubChem FDA SRS BindingDB |
NaN | 0.0 | 424.1 | 3.5 | 78.7 | 8.0 | 0.0 | 4.0 | nan | (*) | Cn1cc2cc(C(F)(F)c3nnc4ccc(-c5cnn(C6CC6)c5)nn34)c(F)cc2n1 | QHXLXUIZUCJRKV-UHFFFAOYSA-N | NaN | None | Achiral Molecule | CBI-3103 APL-101 PLB-1001 |
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Omipalisib |
1 | GlaxosmithKline | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'ZIG' | 3l08 | 1 | 1.0 | 505.1 | 4.8 | 107.0 | 7.0 | 1.0 | 6.0 | nan | PIK3CA MTOR |
Atypical | COc1c(cc(cn1)c2ccc3c(c2)c(ccn3)c4ccnnc4)NS(=O)(=O)c5ccc(cc5F)F | CGBJSGAELGCMKE-UHFFFAOYSA-N | nan | None | Achiral Molecule | GSK-2126458 GSK2126458 OMIPALISIB |
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Ravoxertinib |
1 | Genentech | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'6QB' | 5k4i 5k4j 6oph | nan | 0.0 | 440.1 | 3.2 | 97.9 | 8.0 | 2.0 | 6.0 | nan | nan | Cn1c(ccn1)Nc2nccc(n2)c3ccn(c(=O)c3)[C@H](CO)c4ccc(c(c4)F)Cl | RZUOCXOYPYGSKL-GOSISDBHSA-N | nan | None | Single Stereoisomer | GDC-0994 GDC0994 RAVOXERTINIB RG-7842 |
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Vecabrutinib |
1 | Sunesis Pharmaceuticals | ChemSpider ChEMBL PubChem Guide to Pharmacology FDA SRS |
nan | 1.0 | 529.2 | 2.7 | 130.5 | 7.0 | 3.0 | 5.0 | nan | nan | c1c(cc(cc1N[C@@H]2CCCN(C2=O)[C@H]3CN(CC[C@@H]3C(=O)N)c4c(c(ncn4)N)F)Cl)C(F)(F)F | QLRRJMOBVVGXEJ-XHSDSOJGSA-N | nan | None | Single Stereoisomer | BIIB-062 BSK-4841 FP-0182 FP0182 SNS-062 VECABRUTINIB |
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Ningetinib |
1.5 | HEC Pharm | ChemSpider ChEMBL PubChem DrugBank ZINC FDA SRS BindingDB |
nan | 2.0 | 556.2 | 5.4 | 107.6 | 8.0 | 2.0 | 8.0 | Ningetinib, also known as CT-053 or DE-120, is a VEGF and PDGF inhibitor potentially for the treatment of wet age-related macular degeneration. | nan | Cc1c(c(=O)n(n1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4ccc(c5)OCC(C)(C)O | VQYYQSZNRVQLIS-UHFFFAOYSA-N | nan | None | Achiral Molecule | CT-053 FREE BASE CT-053-PTSA FREE BASE CT053PTSA FREE BASE NINGETINIB |
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Nedisertib |
1.5 | Merck | ChemSpider PubChem BindingDB |
nan | 0.0 | 481.1 | 3.8 | 93.5 | 8.0 | 1.0 | 5.0 | nan | nan | COc1ccc(nn1)C(c2cc(c(cc2Cl)F)c3c4ccc(cc4ncn3)N5CCOCC5)O | MOWXJLUYGFNTAL-UHFFFAOYSA-N | nan | None | Single Stereoisomer | M-3814 MSC-2490484A MSC 2490484A M3814 MSC2490484A |
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Dubermatinib |
1.5 | Tolero Pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 1.0 | 515.2 | 3.6 | 93.7 | 8.0 | 2.0 | 8.0 | nan | nan | CN1CCN(CC1)Cc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)N(C)C)Cl | YUAALFPUEOYPNX-UHFFFAOYSA-N | nan | None | Achiral Molecule | DUBERMATINIB HCL-2084 TP 0903 TP-0903 TP0903 |
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Peposertib |
1.5 | Merck | ChemSpider ChEMBL PubChem DrugBank ZINC FDA SRS BindingDB |
nan | 0.0 | 334.2 | 1.3 | 114.7 | 8.0 | 2.0 | 8.0 | nan | nan | COCCOc1c(cc(cc1OC)Cc2cnc(nc2N)N)OC | WSWJIZXMAUYHOE-UHFFFAOYSA-N | nan | NaN | NaN | TETROXOPRIM | 154.0 °C | |||||
Samuraciclib |
1.5 | Imperial College of Science, Technology and Medicine | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'I74' | 5jq5 7b5o 7b5q | nan | 0.0 | 394.2 | 2.8 | 86.5 | 7.0 | 4.0 | 7.0 | nan | nan | CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 | YCVGLKWJKIKVBI-MJGOQNOKSA-N | nan | None | Single Stereoisomer | CT-7001 CT7001 ICEC-0942 ICEC0942 SAMURACICLIB |
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Lerociclib |
1.5 | G1 Therapeutics | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology FDA SRS BindingDB |
nan | 0.0 | 474.3 | 3.5 | 91.2 | 8.0 | 2.0 | 4.0 | nan | nan | CC(C)N1CCN(CC1)c2ccc(nc2)Nc3ncc4cc5n(c4n3)C6(CCCCC6)CNC5=O | YPJRHEKCFKOVRT-UHFFFAOYSA-N | nan | None | Achiral Molecule | G1T38 G1T38 FREE BASE LEROCICLIB |
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Selitrectinib |
1.5 | Bayer | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology FDA SRS BindingDB |
nan | 0.0 | 380.2 | 2.7 | 75.4 | 6.0 | 1.0 | 0.0 | nan | nan | C[C@@H]1CCc2c(cc(cn2)F)[C@H]3CCCN3c4ccn5c(n4)c(cn5)C(=O)N1 | OEBIHOVSAMBXIB-SJKOYZFVSA-N | nan | None | Single Stereoisomer | LOXO-195 SELITRECTINIB |
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Branebrutinib |
2 | Bristol Myers Squibb | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology FDA SRS BindingDB |
nan | 0.0 | 370.2 | 2.1 | 91.2 | 3.0 | 3.0 | 3.0 | nan | nan | CC#CC(=O)N[C@H]1CCCN(C1)c2c(cc(c3c2c(c([nH]3)C)C)C(=O)N)F | VJPPLCNBDLZIFG-ZDUSSCGKSA-N | nan | None | Single Stereoisomer | BMS-986195 BRANEBRUTINIB |
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Bimiralisib |
2 | Piqur Therapeutics | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'A3W' | 5oq4 | nan | 0.0 | 411.2 | 1.0 | 103.2 | 8.0 | 2.0 | 3.0 | Bimiralisib (PQR309) is a novel dual inhibitor of phosphoinositol 3-kinase (PI3K) and mechanistic target of rapamycin (mTOR) kinases, with expected utility as an anti-cancer agent. |
nan | c1c(c(c[nH]c1=N)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F | ADGGYDAFIHSYFI-UHFFFAOYSA-N | nan | None | Achiral Molecule | BIMIRALISIB NC-B5 NCB5 PI3K-IN-2 PQR-309 PQR309 |
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Berzosertib |
2 | Vertex Pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 463.2 | 3.9 | 124.0 | 8.0 | 2.0 | 7.0 | nan | nan | CC(C)S(=O)(=O)c1ccc(cc1)c2cnc(c(n2)c3cc(no3)c4ccc(cc4)CNC)N | JZCWLJDSIRUGIN-UHFFFAOYSA-N | nan | None | Achiral Molecule | BERZOSERTIB M-6620 M6620 VE-822 VX-970 VX970 |
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Danusertib |
2 | Nerviano Medical Sciences | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'627' | 2j50 2v7a 4qo9 5i9z | 1 | 0.0 | 474.2 | 2.6 | 93.8 | 6.0 | 2.0 | 6.0 | nan | AURKA AURKB AURKC |
Other | CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)[C@@H](c5ccccc5)OC | XKFTZKGMDDZMJI-HSZRJFAPSA-N | nan | None | Single Stereoisomer | DANUSERTIB PHA-739358 |
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Mavelertinib |
2 | Pfizer | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 415.2 | 0.7 | 115.0 | 10.0 | 2.0 | 6.0 | nan | nan | Cn1cc(c(n1)OC)Nc2c3c(nc(n2)N4C[C@H]([C@@H](C4)F)NC(=O)C=C)n(cn3)C | JYIUNVOCEFIUIU-GHMZBOCLSA-N | nan | None | Single Stereoisomer | MAVELERTINIB PF-06747775 |
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Belvarafenib |
2 | Hanmi Pharmaceutical | ChemSpider ChEMBL PubChem RCSB PDBe FDA SRS BindingDB |
'V1Y' | 6xfp | nan | 1.0 | 478.1 | 5.9 | 105.8 | 7.0 | 3.0 | 4.0 | nan | nan | CC1=C(C2=C(C=C1)C(=NC=C2)NC3=C(C(=CC=C3)Cl)F)NC(=O)C4=CSC5=C4N=CN=C5N | KVCQTKNUUQOELD-UHFFFAOYSA-N | nan | None | Achiral Molecule | BELVARAFENIB | ||||
Derazantinib |
2 | ArQule | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology FDA SRS |
nan | 1.0 | 468.2 | 5.5 | 59.1 | 5.0 | 2.0 | 9.0 | Derazantinib (ARQ087) is an orally bioavailable, non-selective FGFR inhibitor being investigated for antineoplastic activity. | nan | COCCNCCc1cccc(c1)Nc2ncc3c(n2)-c4ccccc4[C@@H](C3)c5ccccc5F | KPJDVVCDVBFRMU-AREMUKBSSA-N | nan | None | Single Stereoisomer | ARQ 087 ARQ-087 ARQ087 DERAZANTINIB |
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Doramapimod |
2 | Boehringer Ingelheim | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'B96' | 1kv2 3fzs 3npc 4jvg 4twn 5n66 6gtt | 2 | 2.0 | 527.3 | 6.0 | 80.7 | 6.0 | 2.0 | 7.0 | nan | MAPK14 | CMGC | Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCN5CCOCC5 | MVCOAUNKQVWQHZ-UHFFFAOYSA-N | nan | None | Achiral Molecule | BIRB 796 BS BIRB-796 BIRB-796 BS DORAMAPIMOD |
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Voxtalisib |
2 | Sanofi | ChemSpider ChEMBL PubChem DrugBank ZINC FDA SRS BindingDB |
nan | 0.0 | 270.1 | 1.1 | 102.5 | 6.0 | 2.0 | 2.0 | nan | PIK3CA MTOR |
Atypical | CCn1c2c(cc(c1=O)c3ccn[nH]3)c(nc(n2)N)C | RGHYDLZMTYDBDT-UHFFFAOYSA-N | nan | None | Achiral Molecule | SAR-245409 SAR245409 VOXTALISIB XL-765 XL765 |
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Bemcentinib |
2 | BerGenBio | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 1.0 | 506.3 | 4.9 | 97.8 | 8.0 | 2.0 | 4.0 | nan | AXL | Tyr | c1ccc-2c(c1)CCCc3c2nnc(c3)n4c(nc(n4)Nc5ccc6c(c5)CC[C@H](CC6)N7CCCC7)N | KXMZDGSRSGHMMK-VWLOTQADSA-N | nan | None | Single Stereoisomer | BEMCENTINIB BGB 324 BGB-324 BGB324 CS-1046 HY-15150 KB-80319 QC-11751 R 428 R-428 R428 SYN-1131 SYN1131 W-5845 |
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Foslinanib |
2 | TaiRx | ChemSpider ChEMBL PubChem DrugBank ZINC FDA SRS |
nan | 0.0 | 365.0 | 2.8 | 108.8 | 4.0 | 3.0 | 4.0 | nan | nan | COc1ccc2c(c1OP(=O)(O)O)c(=O)cc([nH]2)c3cccc(c3)F | ZDWFMAHQGDEALT-UHFFFAOYSA-N | nan | None | Achiral Molecule | CVM-1118 CVM-1118 FREE ACID FOSLINANIB TRX 818 TRX-818 TRX-818 FREE ACID |
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Ceralasertib |
2 | Astrazeneca | ChemSpider PubChem |
nan | 0.0 | 412.2 | 2.9 | 107.8 | 7.0 | 2.0 | 4.0 | Ceralasertib, also known as AZD6738, is an orally available morpholino-pyrimidine-based inhibitor of ataxia telangiectasia and rad3 related (ATR) kinase, with potential antineoplastic activity. Upon oral administration, ATR kinase inhibitor Ceralasertib selectively inhibits ATR activity by blocking the downstream phosphorylation of the serine/threonine protein kinase CHK1. This prevents ATR-mediated signaling, and results in the inhibition of DNA damage checkpoint activation, disruption of DNA damage repair, and the induction of tumor cell apoptosis. |
nan | CC1COCCN1c2cc(nc(n2)c3cncc4c3cc[nH]4)C5(CC5)S(=N)(=O)C | DTTJKLNXNZAVSM-UHFFFAOYSA-N | nan | None | Single Stereoisomer | AZD6738 | ||||||
Mirdametinib |
2 | Pfizer | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'4BM' | 3eqg 3vvh 7juu 7jv0 7m0x | nan | 0.0 | 482.0 | 2.5 | 90.8 | 5.0 | 4.0 | 7.0 | nan | nan | O=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F | SUDAHWBOROXANE-SECBINFHSA-N | nan | None | Single Stereoisomer | MIRDAMETINIB PD 0325901 PD-0325901 |
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Merestinib |
2 | Eli Lilly | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'L1X' | 4eev 7aay | 2 | 2.0 | 552.2 | 5.7 | 106.8 | 7.0 | 2.0 | 6.0 | nan | MET | Tyr | Cc1ccc(c(=O)n1c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4cc5cnn(c5cc4c6c[nH]nc6)C | QHADVLVFMKEIIP-UHFFFAOYSA-N | nan | None | Achiral Molecule | LY-2801653 LY2801653 MERESTINIB |
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Seletalisib |
2 | UCB | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 1.0 | 482.1 | 5.2 | 90.5 | 6.0 | 1.0 | 4.0 | nan | nan | c1cc2cc(c(nc2c(c1)Cl)c3ccc[n+](c3)[O-])[C@H](C(F)(F)F)Nc4c5c(cccn5)ncn4 | LNLJHGXOFYUARS-OAQYLSRUSA-N | nan | None | Single Stereoisomer | SELETALISIB UCB-5857 UCB5857 |
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Silmitasertib |
2 | Senhwa Biosciences | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'3NG' | 3nga 3pe1 5o11 6fyl 6fyp 6fyv 6hmb 6isj 6k3l 6khd 6khe 6khf 6p5s | 1 | 0.0 | 349.1 | 4.9 | 75.1 | 4.0 | 2.0 | 3.0 | nan | CSNK2A1 CSNK2A2 |
Other | c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O | MUOKSQABCJCOPU-UHFFFAOYSA-N | nan | None | Achiral Molecule | CX 4945 CX-4945 CX4945 SILMITASERTIB |
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Eganelisib |
2 | Intellikine | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'V7Y' | 6xrl 7jwz | nan | 1.0 | 528.2 | 3.2 | 125.1 | 9.0 | 2.0 | 4.0 | nan | nan | C[C@@H](c1cc2cccc(c2c(=O)n1c3ccccc3)C#Cc4cnn(c4)C)NC(=O)c5c(nn6c5nccc6)N | XUMALORDVCFWKV-IBGZPJMESA-N | nan | None | Single Stereoisomer | EGANELISIB IPI-549 |
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Amuvatinib |
2 | Supergen | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 447.1 | 3.3 | 75.9 | 7.0 | 1.0 | 3.0 | Amuvatinib is a selective multi-targeted tyrosine kinase inhibitor that suppresses c-MET, c-RET and the mutant forms of c-KIT, PDGFR and FLT3. Amuvatinib also suppresses Rad51 protein, a critical comp\nonent of double-stranded DNA repair in cancer cells. |
KIT MET RET FLT3 PDGFRB |
Tyr | c1ccc2c(c1)c3c(o2)c(ncn3)N4CCN(CC4)C(=S)NCc5ccc6c(c5)OCO6 | FOFDIMHVKGYHRU-UHFFFAOYSA-N | nan | None | Achiral Molecule | AMUVATINIB HPK 56 HPK-56 HPK56 MP 470 MP-470 MP470 |
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Sonolisib |
2 | Cascadian Therapeutics | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS |
nan | 1.0 | 525.2 | 3.1 | 119.4 | 9.0 | 1.0 | 8.0 | nan | PIK3CA PIK3CB PIK3CG |
Atypical | CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(CC=C)CC=C)/C4=C(C3=O)O)COC)C)C | QIUASFSNWYMDFS-NILGECQDSA-N | nan | None | Single Stereoisomer | PX-866 SONOLISIB |
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Amcasertib |
2 | Boston Biomedical | ChemSpider ChEMBL PubChem DrugBank ZINC FDA SRS |
nan | 2.0 | 539.2 | 6.0 | 90.1 | 5.0 | 3.0 | 9.0 | nan | PDGFRA | Tyr | CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)c4csc(n4)c5ccccc5)C | QDWKGEFGLQMDAM-ULJHMMPZSA-N | nan | None | Achiral Molecule | AMCASERTIB BBI-503 BBI503 |
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Naporafenib |
2 | Novartis | ChemSpider ChEMBL PubChem RCSB PDBe Guide to Pharmacology FDA SRS BindingDB |
'K81' | 6n0p | NaN | 1.0 | 502.2 | 3.9 | 96.8 | 7.0 | 2.0 | 7.0 | nan | (*) | Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1 | UEPXBTCUIIGYCY-UHFFFAOYSA-N | NaN | None | Achiral Molecule | LXH 254 LXH-254 LXH254 NAPORAFENIB PAN-RAF INHIBITOR LXH254 |
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Gandotinib |
2 | Eli Lilly | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS |
nan | 0.0 | 469.2 | 4.0 | 83.4 | 7.0 | 2.0 | 6.0 | nan | JAK2 | Tyr | Cc1cc(n[nH]1)Nc2cc(c3nc(c(n3n2)Cc4ccc(cc4F)Cl)C)CN5CCOCC5 | SQSZANZGUXWJEA-UHFFFAOYSA-N | nan | None | Achiral Molecule | GANDOTINIB LY-2784544 LY2784544 |
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Simurosertib |
2 | Takeda | ChemSpider PubChem |
nan | 0.0 | 341.1 | 2.8 | 77.7 | 5.0 | 2.0 | 2.0 | nan | nan | Cc1c(c[nH]n1)c2cc3c(s2)c(=O)[nH]c(n3)C4CC5CCN4CC5 | XGVXKJKTISMIOW-UHFFFAOYSA-N | nan | None | Single Stereoisomer | TAK-931 |
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Onatasertib |
2 | Celgene | ChemSpider ChEMBL DrugBank ZINC FDA SRS BindingDB |
nan | 0.0 | 397.2 | 2.5 | 100.5 | 7.0 | 2.0 | 4.0 | nan | nan | CO[C@H]1CC[C@H](N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1 | UFKLYTOEMRFKAD-SHTZXODSSA-N | nan | None | Single Stereoisomer | ATG-008 CC-223 ONATASERTIB |
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Verosudil |
2 | Aerie Pharmaceutical | ChemSpider ChEMBL PubChem Guide to Pharmacology FDA SRS |
nan | 0.0 | 327.1 | 2.8 | 65.2 | 4.0 | 2.0 | 4.0 | nan | nan | CN(C)C(c1ccsc1)C(=O)Nc2ccc3c(c2)cc[nH]c3=O | VDYRZXYYQMMFJW-UHFFFAOYSA-N | nan | None | Racemic Mixture | AR-12286 AR-12286 FREE BASE VEROSUDIL |
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Foretinib |
2 | GlaxoSmithKline | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'88Z' | 3lq8 5ia4 6i2y 6sd9 6sdc | 2 | 2.0 | 632.2 | 5.8 | 111.2 | 8.0 | 2.0 | 12.0 | nan | MET KDR |
Tyr | COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F | CXQHYVUVSFXTMY-UHFFFAOYSA-N | nan | None | Achiral Molecule | EXEL-2880 FORETINIB GSK-089 GSK-1363089 GSK-1363089G GSK089 GSK1363089G XL-880 XL880 |
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Zorifertinib |
2 | Astrazeneca | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 459.1 | 4.3 | 79.8 | 7.0 | 1.0 | 4.0 | nan | nan | COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C | MXDSJQHFFDGFDK-CYBMUJFWSA-N | nan | None | Single Stereoisomer | AZD 3759 AZD-3759 AZD3759 ZORIFERTINIB |
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Bafetinib |
2 | Innovive Pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'406' | 2e2b | 2 | 2.0 | 576.3 | 5.4 | 99.2 | 8.0 | 2.0 | 8.0 | nan | LYN ABL1 |
Tyr | Cc1ccc(cc1Nc2nccc(n2)c3cncnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CC[C@@H](C5)N(C)C | ZGBAJMQHJDFTQJ-DEOSSOPVSA-N | nan | None | Single Stereoisomer | BAFETINIB CNS-9 INNO-406 NS-187 |
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Pilaralisib |
2 | Sanofi | ChemSpider ChEMBL PubChem DrugBank ZINC FDA SRS BindingDB |
nan | 1.0 | 540.1 | 4.5 | 148.3 | 8.0 | 4.0 | 8.0 | nan | PIK3CA PIK3CB PIK3CD PIK3CG |
Atypical | CC(C)(C(=O)Nc1cccc(c1)S(=O)(=O)Nc2c(nc3ccccc3n2)Nc4cc(ccc4Cl)OC)N | QINPEPAQOBZPOF-UHFFFAOYSA-N | nan | None | Achiral Molecule | PILARALISIB SAR-245408 SAR245408 XL-147 XL147 |
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Elsubrutinib |
2 | Abbvie | ChemSpider ChEMBL PubChem Guide to Pharmacology ZINC FDA SRS |
nan | 0.0 | 297.1 | 2.2 | 79.2 | 2.0 | 2.0 | 3.0 | nan | nan | C=CC(=O)N1CCC[C@@H](c2ccc(C(N)=O)c3[nH]ccc23)C1 | UNHZLHSLZZWMNP-LLVKDONJSA-N | nan | None | Single Stereoisomer | ELSUBRUTINIB | ||||||
Solcitinib |
2 | GlaxoSmithKline | ChemSpider ChEMBL PubChem Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 389.2 | 3.2 | 79.6 | 5.0 | 1.0 | 4.0 | nan | JAK1 | Tyr | CC1(CN(C1)C(=O)c2ccc(cc2)c3cccc4n3nc(n4)NC(=O)C5CC5)C | MPYACSQFXVMWNO-UHFFFAOYSA-N | nan | None | Achiral Molecule | G-154578 G154578 GLPG-0778 GLPG-0788 GLPG0778 GSK-2586184 GSK-2586184A GSK2586184A SOLCITINIB |
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Apitolisib |
2 | Hoffmann-La Roche | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'980' | 3tl5 | nan | 1.0 | 498.2 | 0.9 | 133.8 | 11.0 | 2.0 | 5.0 | nan | PIK3CA MTOR |
Atypical | Cc1c(sc2c1nc(nc2N3CCOCC3)c4cnc(nc4)N)CN5CCN(CC5)C(=O)[C@H](C)O | YOVVNQKCSKSHKT-HNNXBMFYSA-N | nan | None | Single Stereoisomer | APITOLISIB G-038390 G-038390.1 GDC-0980 GDC-0980.1 RG-7422 RG7422 |
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Entospletinib |
2 | Gilead Sciences | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'CG9' | 4puz | 1 | 0.0 | 411.2 | 3.9 | 83.4 | 7.0 | 2.0 | 4.0 | nan | SYK | Tyr | c1cc(ccc1Nc2c3nccn3cc(n2)c4ccc5cn[nH]c5c4)N6CCOCC6 | XSMSNFMDVXXHGJ-UHFFFAOYSA-N | nan | None | Achiral Molecule | ENTOSPLETINIB GS-9973 SYK INHIBITOR GS-9973 |
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Acumapimod |
2 | Mereo BioPharma | ChemSpider PubChem DrugBank Guide to Pharmacology ZINC FDA SRS |
nan | 0.0 | 385.2 | 2.8 | 113.8 | 6.0 | 2.0 | 5.0 | nan | MAPK14 MAPK11 MAPK13 MAPK12 |
CMGC | Cc1ccc(cc1n2c(c(cn2)C(=O)c3cccc(c3)C#N)N)C(=O)NC4CC4 | VGUSQKZDZHAAEE-UHFFFAOYSA-N | nan | None | Single Stereoisomer | ACUMAPIMOD |
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Pegcantratinib |
2 | Cephalon | ChemSpider ChEMBL PubChem |
nan | 1.0 | 536.2 | 4.1 | 104.0 | 8.0 | 1.0 | 3.0 | nan | nan | COCCN1C(=O)O[C@@]2(C[C@H]3O[C@]2(C)n2c4ccccc4c4c5c(c6c7ccccc7n3c6c42)C(=O)NC5)C1=O | SHWPFRVVBIKGAT-LYWBODIJSA-N | nan | None | Single Stereoisomer | CT-327 CT327 PEGCANTRATINIB SNA-120 |
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Spebrutinib |
2 | Celgene | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 423.2 | 4.3 | 97.4 | 7.0 | 3.0 | 10.0 | nan | BTK | Tyr | COCCOc1ccc(cc1)Nc2ncc(c(n2)Nc3cccc(c3)NC(=O)C=C)F | KXBDTLQSDKGAEB-UHFFFAOYSA-N | nan | None | Achiral Molecule | AVL-292 CC-292 SPEBRUTINIB |
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Allitinib |
2 | Allist Pharmaceuticals | ChemSpider ChEMBL PubChem Guide to Pharmacology ZINC FDA SRS |
nan | 1.0 | 448.1 | 5.9 | 76.1 | 5.0 | 2.0 | 7.0 | nan | ERBB2 EGFR |
Tyr | C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)OCc4cccc(c4)F | MVZGYPSXNDCANY-UHFFFAOYSA-N | nan | None | Achiral Molecule | ALL-3 ALLITINIB AST-1306 |
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Poseltinib |
2 | Hanmi Pharmaceutical | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology FDA SRS BindingDB |
nan | 0.0 | 470.2 | 4.6 | 95.8 | 8.0 | 2.0 | 7.0 | nan | nan | CN1CCN(CC1)c2ccc(cc2)Nc3nc4ccoc4c(n3)Oc5cccc(c5)NC(=O)C=C | LZMJNVRJMFMYQS-UHFFFAOYSA-N | nan | None | Achiral Molecule | HM71224 LY3337641 POSELTINIB |
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Seralutinib |
2 | Gilead Sciences | ChemSpider PubChem Guide to Pharmacology FDA SRS |
NaN | 1.0 | 469.2 | 5.3 | 98.3 | 7.0 | 2.0 | 8.0 | nan | (*) | COc1ccc(-c2cncc(N[C@@H](C)c3cccc(NC(=O)c4cncc(C)c4)c3)n2)cc1OC | JHJNPOSPVGRIAN-SFHVURJKSA-N | NaN | None | Single Stereoisomer | GB002 PK-10571 GB-002 |
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Talmapimod |
2 | Scios inc | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'469' | 3hub 3zsh | 1 | 1.0 | 512.2 | 4.0 | 65.9 | 5.0 | 0.0 | 5.0 | Investigated for use/treatment in pain (acute or chronic) and rheumatoid arthritis. | MAPK14 | CMGC | C[C@@H]1CN([C@H](CN1C(=O)c2cc3c(cc2Cl)n(cc3C(=O)C(=O)N(C)C)C)C)Cc4ccc(cc4)F | ZMELOYOKMZBMRB-DLBZAZTESA-N | nan | None | Single Stereoisomer | SCIO 469 SCIO-469 TALMAPIMOD |
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Serabelisib |
2 | Takeda | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 363.1 | 2.2 | 98.9 | 7.0 | 1.0 | 2.0 | nan | nan | c1cc2c(cc1c3ccc4ncc(n4c3)C(=O)N5CCOCC5)nc(o2)N | BLGWHBSBBJNKJO-UHFFFAOYSA-N | nan | None | Achiral Molecule | AGN-PC-0DB6FL INK1117 MLN-1117 MLN1117 SERABELISIB TAK-117 |
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Galunisertib |
2 | Eli Lilly | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 369.2 | 3.5 | 86.7 | 5.0 | 1.0 | 3.0 | nan | TGFBR1 | TKL | Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccnc5c4cc(cc5)C(=O)N | IVRXNBXKWIJUQB-UHFFFAOYSA-N | nan | None | Achiral Molecule | GALUNISERTIB LY-2157299 LY2157299 |
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Gedatolisib |
2 | Pfizer | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'VL1' | 7jwe | nan | 1.0 | 615.3 | 3.0 | 128.3 | 10.0 | 2.0 | 7.0 | nan | PIK3CA PIK3CB PIK3CG PIK3CD MTOR |
Atypical | CN(C)C1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)Nc3ccc(cc3)c4nc(nc(n4)N5CCOCC5)N6CCOCC6 | DWZAEMINVBZMHQ-UHFFFAOYSA-N | nan | None | Achiral Molecule | GEDATOLISIB PF-05212384 PKI-587 |
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Ilginatinib |
2 | Nippon Shinyaku | ChemSpider PubChem |
nan | 0.0 | 389.2 | 4.3 | 80.6 | 7.0 | 2.0 | 6.0 | nan | nan | CC(c1ccc(cc1)F)Nc2cc(cc(n2)Nc3cnccn3)c4cnn(c4)C | UQTPDWDAYHAZNT-UHFFFAOYSA-N | nan | None | Single Stereoisomer | NS-018 |
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Glesatinib |
2 | Mirati Therapeutics | ChemSpider ChEMBL PubChem DrugBank ZINC FDA SRS |
nan | 2.0 | 619.2 | 6.2 | 97.4 | 8.0 | 3.0 | 11.0 | nan | MET TEK FLT1 KDR FLT4 MST1R |
Tyr | COCCNCc1ccc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)NC(=S)NC(=O)Cc5ccc(cc5)F | YRCHYHRCBXNYNU-UHFFFAOYSA-N | nan | None | Achiral Molecule | GLESATINIB MG-90265 MG-90265X MG90265 MG90265GLY MG90265H9 MG90265X MGCD-265 MGCD265 |
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Golvatinib |
2 | Eisai | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'GV0' | 5ia5 | 2 | 1.0 | 633.3 | 4.8 | 119.1 | 7.0 | 3.0 | 8.0 | nan | MET KDR |
Tyr | CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F | UQRCJCNVNUFYDX-UHFFFAOYSA-N | nan | None | Achiral Molecule | E-7050 E7050 GOLVATINIB |
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Milciclib |
2 | Nerviano Medical Sciences | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'P48' | 2wih 5vc6 5vd1 | 1 | 0.0 | 460.3 | 2.6 | 91.2 | 8.0 | 2.0 | 4.0 | nan | CDK1 NTRK1 |
Tyr CMGC |
CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4ccc(cc4)N5CCN(CC5)C)C | RXZMYLDMFYNEIM-UHFFFAOYSA-N | nan | None | Achiral Molecule | MILCICLIB PHA 848125 PHA-848125 |
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Tozasertib |
2 | Merck | ChemSpider ChEMBL PubChem RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'VX6' | 2f4j 2xyn 3amb 3e5a 4af3 4b8m 4jbq 4zog 5wnm 6brj 6gr9 | 1 | 0.0 | 464.2 | 3.5 | 102.1 | 8.0 | 3.0 | 7.0 | nan | AURKA AURKB AURKC |
Other | Cc1cc(n[nH]1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C | GCIKSSRWRFVXBI-UHFFFAOYSA-N | nan | None | Achiral Molecule | MK-045 MK-0457 TOZASERTIB VX-68 VX-680 |
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Sapitinib |
2 | Astrazeneca | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 473.2 | 3.8 | 88.6 | 7.0 | 2.0 | 7.0 | nan | EGFR ERBB2 ERBB4 ERBB3 |
Tyr | CNC(=O)CN1CCC(CC1)Oc2cc3c(cc2OC)ncnc3Nc4cccc(c4F)Cl | DFJSJLGUIXFDJP-UHFFFAOYSA-N | nan | None | Achiral Molecule | AZD-8931 AZD8931 SAPITINIB |
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Ilorasertib |
ABT-348, A-968660;Abt-348, a-968660 | 2 | Abbott Laboratories | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 1.0 | 488.1 | 5.2 | 118.1 | 7.0 | 4.0 | 6.0 | nan | AURKA AURKB AURKC FLT1 PDGFRA PDGFRB |
Tyr Other |
c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N | WPHKIQPVPYJNAX-UHFFFAOYSA-N | nan | None | Achiral Molecule | A-968660 A-968660.0 ABBOTT-968660 ABT-348 ABT-348, A-968660 ILORASERTIB |
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Bentamapimod |
2 | PregLem | ChemSpider ChEMBL PubChem Guide to Pharmacology FDA SRS |
nan | 0.0 | 457.2 | 4.2 | 84.2 | 8.0 | 0.0 | 7.0 | nan | MAPK8 MAPK9 |
CMGC | N#CC(c1nc2ccccc2s1)c5nc(OCc3ccc(cc3)CN4CCOCC4)ncc5 | XCPPIJCBCWUBNT-UHFFFAOYSA-N | nan | None | Racemic Mixture | AS-602801 BENTAMAPIMOD PGL-5001 |
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Gusacitinib |
2 | Asana BioSciences | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology FDA SRS |
nan | 0.0 | 460.2 | 2.5 | 134.1 | 9.0 | 3.0 | 5.0 | nan | nan | N#CCC1CCN(c2nc(Nc3ccc(N4CCC(O)CC4)cc3)c3c(=O)[nH]ncc3n2)CC1 | NLFLXLJXEIUQDL-UHFFFAOYSA-N | nan | None | Achiral Molecule | ASN-002 ASN002 EN-3351 EN3351 GUSACITINIB |
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Adavosertib |
2 | Astrazeneca | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'8X7' | 5v5y 5vd0 5vdk | 1 | 1.0 | 500.3 | 2.9 | 104.3 | 10.0 | 2.0 | 7.0 | nan | WEE1 | Other | CC(C)(c1cccc(n1)n2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)c(=O)n2CC=C)O | BKWJAKQVGHWELA-UHFFFAOYSA-N | nan | None | Achiral Molecule | ADAVOSERTIB AZD 1775 AZD-1775 AZD1775 MK-1775 MK1775 |
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Afuresertib |
2 | GlaxoSmithKline | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 426.0 | 3.9 | 72.9 | 5.0 | 2.0 | 6.0 | nan | AKT1 AKT2 AKT3 |
AGC | Cn1c(c(cn1)Cl)c2cc(sc2Cl)C(=O)N[C@@H](Cc3cccc(c3)F)CN | AFJRDFWMXUECEW-LBPRGKRZSA-N | nan | None | Single Stereoisomer | AFURESERTIB ASB-183 ASB183 GSK-2110183 GSK-2110183C GSK2110183 GSK2110183C |
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Ralimetinib |
2 | Eli Lilly | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS |
nan | 1.0 | 420.2 | 5.6 | 85.4 | 5.0 | 2.0 | 3.0 | nan | MAPK14 MAPK11 |
CMGC | CC(C)(C)Cn1c2c(ccc(n2)c3c(nc([nH]3)C(C)(C)C)c4ccc(cc4)F)nc1N | XPPBBJCBDOEXDN-UHFFFAOYSA-N | nan | None | Achiral Molecule | LSN-2322600 FREE BASE LSN2322600 FREE BASE LY-2228820 LY2228820 LY22288220 RALIMETINIB |
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Rebastinib |
DP-1919;Dp-1919 | 2 | Deciphera Pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'919' | 3qri 3qrj 5g6v 6cnh 6mwe | 2 | 2.0 | 553.2 | 6.0 | 123.1 | 7.0 | 3.0 | 6.0 | nan | FLT3 TEK KDR LYN BCR ABL1 NTRK1 |
Tyr Atypical |
CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC | WVXNSAVVKYZVOE-UHFFFAOYSA-N | nan | None | Achiral Molecule | DCC-2036 DCC-2036 FREE BASE DP-1919 REBASTINIB |
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Samotolisib |
2 | Eli Lilly | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS |
nan | 0.0 | 406.2 | 3.2 | 82.2 | 7.0 | 1.0 | 5.0 | LY3023414 is a dual inhibitor of phosphoinositide 3-kinase α (PI3Kα) and the serine/threonine kinase mTOR (mechanistic target of rapamycin), with potential antineoplastic activity. |
nan | C[C@@H](Cn1c2c3cc(ccc3ncc2n(c1=O)C)c4cc(cnc4)C(C)(C)O)OC | ACCFLVVUVBJNGT-AWEZNQCLSA-N | nan | None | Single Stereoisomer | LY 3023414 LY-3023414 LY3023414 SAMOTOLISIB |
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Refametinib |
2 | Bayer | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS |
'VRA' | 3e8n | nan | 1.0 | 572.0 | 3.5 | 107.9 | 6.0 | 4.0 | 9.0 | nan | MAP2K1 | STE | COc1cc(c(c(c1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)Nc3ccc(cc3F)I)F)F | RDSACQWTXKSHJT-NSHDSACASA-N | nan | None | Single Stereoisomer | BAY 869766 BAY 8697661 BAY-86-9766 BAY-869766 BAY-8697661 BAY86-9766 RDEA 119 RDEA-119 REFAMETINIB |
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Seliciclib |
2 | Cyclacel pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'RRC' | 1unl 1ygk 2a4l 3ddq | 1 | 0.0 | 354.2 | 3.2 | 87.9 | 7.0 | 3.0 | 8.0 | nan | CDK2 CDK7 CDK9 |
CMGC | CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1 | BTIHMVBBUGXLCJ-OAHLLOKOSA-N | nan | None | Single Stereoisomer | AL-39256 CYC-202 NSC-701554 SELICICLIB |
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Miransertib |
2 | Merck | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS |
'6S1' | 5kcv | nan | 1.0 | 432.2 | 5.1 | 95.6 | 6.0 | 2.0 | 4.0 | nan | nan | c1ccc(cc1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)C6(CCC6)N | HNFMVVHMKGFCMB-UHFFFAOYSA-N | nan | None | Achiral Molecule | ARQ 092 ARQ 092 FREE BASE ARQ-092 MIRANSERTIB |
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Lucitanib |
2 | Clovis Oncology | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'3ZC' | 4rwl | 1 | 0.0 | 443.2 | 4.4 | 95.7 | 6.0 | 2.0 | 7.0 | nan | FLT1 KDR FLT4 FGFR1 FGFR2 |
Tyr | CNC(=O)c1cccc2c1ccc(c2)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC | CUDVHEFYRIWYQD-UHFFFAOYSA-N | nan | None | Achiral Molecule | AL-3810 CO-3810 E-3810 LUCITANIB S 80881 S-80881 |
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Nemiralisib |
2 | GlaxosmithKline | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'VVX' | 5ae8 | nan | 0.0 | 440.2 | 4.9 | 77.0 | 5.0 | 2.0 | 5.0 | nan | nan | CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cccc6c5cc[nH]6 | MCIDWGZGWVSZMK-UHFFFAOYSA-N | nan | None | Achiral Molecule | GSK-2269557 GSK-2269557 FREE BASE GSK-2269557A GSK2269557A NEMIRALISIB |
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Ropsacitinib |
2 | Pfizer | ChemSpider ChEMBL RCSB PDBe FDA SRS BindingDB |
'UWM' | 6x8g | NaN | 0.0 | 383.2 | 2.5 | 113.4 | 9.0 | 0.0 | 4.0 | nan | (*) | Cn1cc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)C[C@@H](C#N)C4)c3)n2)cn1 | XPLZTJWZDBFWDE-OYOVHJISSA-N | NaN | None | Achiral Molecule | PF-06826647 ROPSACITINIB |
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Tanzisertib |
2 | Celgene | ChemSpider ChEMBL DrugBank RCSB PDBe ZINC FDA SRS BindingDB |
'KBI' | 3tti | 1 | 0.0 | 448.2 | 3.7 | 97.1 | 8.0 | 3.0 | 5.0 | nan | MAPK8 | CMGC | c1c(c(c(cc1F)F)Nc2n(c3nc(ncc3n2)N[C@H]4CC[C@@H](CC4)O)[C@@H]5COCC5)F | IBGLGMOPHJQDJB-IHRRRGAJSA-N | nan | None | Single Stereoisomer | CC-930 JNK 930 JNK-930 TANZISERTIB |
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Tirabrutinib |
2 | Ono Pharmaceutical | ChemSpider PubChem |
nan | 0.0 | 454.2 | 2.8 | 108.3 | 8.0 | 1.0 | 4.0 | nan | nan | CC#CC(=O)N1CCC(C1)n2c3c(c(ncn3)N)n(c2=O)c4ccc(cc4)Oc5ccccc5 | SEJLPXCPMNSRAM-UHFFFAOYSA-N | nan | None | Single Stereoisomer | ONO-4059 GS-4059 ONO-4059(FREE BASE) |
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Dilmapimod |
2 | GlaxoSmithKline | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS |
nan | 0.0 | 456.1 | 2.9 | 100.3 | 7.0 | 3.0 | 6.0 | Dilmapimod has been used in trials studying the treatment and diagnostic of Nerve Trauma, Inflammation, Pain, Neuropathic, Arthritis, Rheumatoid, and Coronary Heart Disease, among others. |
MAPK14 MAPK11 MAPK13 MAPK12 |
CMGC | Cc1cc(ccc1c2c3ccc(=O)n(c3nc(n2)NC(CO)CO)c4c(cccc4F)F)F | ORVNHOYNEHYKJG-UHFFFAOYSA-N | nan | None | Achiral Molecule | DILMAPIMOD GW-681323 SB-681323 SB681323 |
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Acalisib |
2 | Gilead Sciences | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 401.1 | 3.4 | 101.4 | 7.0 | 2.0 | 4.0 | nan | PIK3CA | Atypical | C[C@@H](c1nc2ccc(cc2c(=O)n1c3ccccc3)F)Nc4c5c(nc[nH]5)ncn4 | DOCINCLJNAXZQF-LBPRGKRZSA-N | nan | None | Single Stereoisomer | ||||||
Ebvaciclib |
2 | Pfizer | ChemSpider ChEMBL PubChem RCSB PDBe Guide to Pharmacology FDA SRS BindingDB |
'WG1' | 7kjs | NaN | 0.0 | 471.2 | 2.0 | 117.4 | 8.0 | 2.0 | 5.0 | nan | (*) | C[C@@]1(O)CCC[C@H]1n1c(=O)c(C(F)F)cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc21 | QIEKHLDZKRQLLN-FOIQADDNSA-N | NaN | None | Single Stereoisomer | EBVACICLIB PF-06873600 |
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Tenalisib |
2 | Rhizen Pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 415.1 | 4.8 | 96.7 | 6.0 | 2.0 | 5.0 | nan | nan | CC[C@@H](c1c(c(=O)c2ccccc2o1)c3cccc(c3)F)Nc4c5c([nH]cn5)ncn4 | HDXDQPRPFRKGKZ-INIZCTEOSA-N | nan | None | Single Stereoisomer | TENALISIB | ||||||
Tomivosertib |
2 | Effector Therapeutics | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'N45' | 6ck6 | nan | 0.0 | 340.2 | 1.6 | 114.9 | 7.0 | 3.0 | 2.0 | Tomivosertib, also known as eFT508 is a MNK1/2 inhibitor. Tomivosertib binds to and inhibits the activity of MNK1 and 2. This prevents MNK1/2-mediated signaling, and inhibits the phosphorylation of certain regulatory proteins, including eukaryotic translation initiation factor 4E (eIF4E), that regulate the translation of messenger RNAs (mRNAs) involved in tumor cell proliferation, angiogenesis, survival and immune signaling |
nan | Cc1cc(c(=O)n2c1C(=O)NC23CCCCC3)Nc4cc(ncn4)N | HKTBYUWLRDZAJK-UHFFFAOYSA-N | nan | None | Achiral Molecule | EFT 508 EFT-508 EFT508 TOMIVOSERTIB |
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Izencitinib |
2 | Theravance Biopharma | ChemSpider FDA SRS BindingDB |
NaN | 0.0 | 402.2 | 3.7 | 105.6 | 7.0 | 3.0 | 6.0 | nan | (*) | Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)n2)n[nH]1 | DADAEARVGOQWHV-OSYLJGHBSA-N | NaN | None | Single Stereoisomer | TD-1473 TD1473 |
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Ulixertinib |
2 | BioMed Valley Discoveries | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS |
'EVK' | 6gdq | nan | 0.0 | 432.1 | 4.7 | 90.0 | 4.0 | 4.0 | 7.0 | nan | MAPK1 MAPK3 |
CMGC | CC(C)Nc1cc(c(cn1)Cl)c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl | KSERXGMCDHOLSS-LJQANCHMSA-N | nan | None | Single Stereoisomer | BVD-523 BVD-ERK ULIXERTINIB VRT-752271 |
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Sotrastaurin |
2 | Novartis | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'LW4' | 3iw4 | nan | 0.0 | 438.2 | 2.4 | 94.2 | 6.0 | 2.0 | 3.0 | nan | nan | CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6 | OAVGBZOFDPFGPJ-UHFFFAOYSA-N | nan | None | Achiral Molecule | AEB-071 AEB071 NVP-AEB071 SOTRASTAURIN |
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Tarloxotinib |
2 | Threshold Pharmaceuticals | ChemSpider ChEMBL PubChem FDA SRS |
nan | 1.0 | 679.0 | 1.6 | 140.8 | 9.0 | 2.0 | 9.0 | nan | EGFR | Tyr | Cn1cnc(c1C[N+](C)(C)C/C=C/C(=O)Nc2cc3c(cn2)ncnc3Nc4ccc(c(c4)Br)Cl)[N+](=O)[O-].[Br-] | WAKIMVYUBWMMHJ-FXRZFVDSSA-N | nan | None | Achiral Molecule | TARLOXOTINIB BROMIDE | |||||
Sapanisertib |
2 | Takeda | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'FE5' | 6gvf | nan | 0.0 | 309.1 | 2.4 | 121.7 | 8.0 | 2.0 | 2.0 | nan | MTOR | Atypical | CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(ncn2)N | GYLDXIAOMVERTK-UHFFFAOYSA-N | nan | None | Achiral Molecule | INK-128 INK128 MLN-0128 MLN0128 SAPANISERTIB TAK-228 |
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Telatinib |
2 | Bayer | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 409.1 | 4.0 | 102.2 | 7.0 | 2.0 | 6.0 | nan | KDR FLT4 |
Tyr | CNC(=O)c1cc(ccn1)COc2c3c(cco3)c(nn2)Nc4ccc(cc4)Cl | QFCXANHHBCGMAS-UHFFFAOYSA-N | nan | None | Achiral Molecule | BAY 57-9352 BAY-57-9352 BAY-579352 TELATINIB |
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Neflamapimod |
2 | EIP Pharma | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'52P' | 3fc1 3hp5 3zsi | nan | 1.0 | 435.0 | 5.5 | 47.3 | 5.0 | 0.0 | 3.0 | nan | MAPK14 | CMGC | c1cc(c(c(c1)Cl)c2c3ccc(nn3cnc2=O)Sc4ccc(cc4F)F)Cl | VEPKQEUBKLEPRA-UHFFFAOYSA-N | nan | None | Achiral Molecule | 745 NEFLAMAPIMOD VD-31 VD-31,745 VD-31745 VRT-031745 VX-745 |
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Brepocitinib |
2 | Pfizer | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'G4J' | 6dbm 6dbn | nan | 0.0 | 389.2 | 1.8 | 79.2 | 7.0 | 1.0 | 4.0 | nan | nan | Cn1cc(cn1)Nc2nccc(n2)N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F)F | BUWBRTXGQRBBHG-MJBXVCDLSA-N | nan | None | Single Stereoisomer | BREPOCITINIB PF-06700841 |
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Rabusertib |
2 | Eli Lilly | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 435.1 | 2.9 | 97.4 | 6.0 | 3.0 | 5.0 | nan | CHEK1 | CAMK | Cc1cc(c(cc1Br)NC(=O)Nc2cnc(cn2)C)OC[C@@H]3CNCCO3 | SYYBDNPGDKKJDU-ZDUSSCGKSA-N | nan | None | Single Stereoisomer | IC-83 LY-2603618 LY2603618 RABUSERTIB |
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Voruciclib |
2 | Piramal Enterprises | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 469.1 | 4.3 | 94.1 | 6.0 | 3.0 | 3.0 | nan | CDK4 | CMGC | CN1CC[C@H]([C@@H]1CO)c2c(cc(c3c2oc(cc3=O)c4ccc(cc4Cl)C(F)(F)F)O)O | MRPGRAKIAJJGMM-OCCSQVGLSA-N | nan | None | Single Stereoisomer | P1446A-05 VORUCICLIB |
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Vorolanib |
2 | Tyrogenex | ChemSpider ChEMBL PubChem DrugBank FDA SRS |
nan | 0.0 | 439.2 | 2.7 | 97.5 | 3.0 | 3.0 | 3.0 | nan | nan | Cc1c([nH]c(c1C(=O)N[C@H]2CCN(C2)C(=O)N(C)C)C)/C=C\3/c4cc(ccc4NC3=O)F | KMIOJWCYOHBUJS-HAKPAVFJSA-N | nan | None | Single Stereoisomer | VOROLANIB | ||||||
Tamatinib |
2 | Rigel Pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'585' | 3fqs 3piy | 1 | 0.0 | 470.2 | 3.6 | 128.8 | 10.0 | 3.0 | 7.0 | nan | SYK | Tyr | CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C | NHHQJBCNYHBUSI-UHFFFAOYSA-N | nan | NaN | NaN | R-406 | |||
Pamapimod |
2 | Hoffmann-La Roche | ChemSpider ChEMBL PubChem RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'FLW' | 3flw | 1 | 0.0 | 406.1 | 1.9 | 109.5 | 8.0 | 3.0 | 8.0 | nan | MAPK14 MAPK11 |
CMGC | Cn1c2c(cc(c1=O)Oc3ccc(cc3F)F)cnc(n2)NC(CCO)CCO | JYYLVUFNAHSSFE-UHFFFAOYSA-N | nan | None | Achiral Molecule | PAMAPIMOD R-1503 R1503 RO 4402257 RO-4402257 |
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Prexasertib |
2 | Eli Lilly | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 365.2 | 2.2 | 134.8 | 8.0 | 3.0 | 8.0 | nan | CHEK1 CHEK2 |
CAMK | COc1cccc(c1c2cc(n[nH]2)Nc3cnc(cn3)C#N)OCCCN | DOTGPNHGTYJDEP-UHFFFAOYSA-N | nan | None | Achiral Molecule | LY2606368 PREXASERTIB |
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Decernotinib |
2 | Vertex Pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'VJK' | 4yti | 1 | 0.0 | 392.2 | 3.3 | 95.6 | 5.0 | 3.0 | 6.0 | nan | JAK3 | Tyr | CC[C@](C)(C(=O)NCC(F)(F)F)Nc1ccnc(n1)c2c[nH]c3c2cccn3 | ASUGUQWIHMTFJL-QGZVFWFLSA-N | nan | None | Single Stereoisomer | ADELATINIB DECERNOTINIB VRT-831509 VX-509 |
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Tandutinib |
2 | Takeda | ChemSpider ChEMBL PubChem DrugBank ZINC FDA SRS BindingDB |
nan | 2.0 | 562.3 | 5.0 | 92.3 | 8.0 | 1.0 | 10.0 | Investigated for use/treatment in leukemia (myeloid). | FLT3 PDGFD |
(*) Tyr |
CC(C)Oc1ccc(cc1)NC(=O)N2CCN(CC2)c3c4cc(c(cc4ncn3)OCCCN5CCCCC5)OC | UXXQOJXBIDBUAC-UHFFFAOYSA-N | nan | None | Achiral Molecule | CT 53518 CT-53518 CT53518 MLN-0518 MLN-518 TANDUTINIB |
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Tasurgratinib |
2 | Eisai | ChemSpider ChEMBL PubChem ZINC FDA SRS BindingDB |
NaN | 1.0 | 587.3 | 4.5 | 127.2 | 9.0 | 3.0 | 11.0 | nan | (*) | CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OCCOC)cc21 | IBHOLSBDZMIPPT-UHFFFAOYSA-N | NaN | None | Achiral Molecule | E-7090 E7090 TASURGRATINIB |
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Uprosertib |
2 | GlaxoSmithKline | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 428.1 | 3.6 | 86.1 | 5.0 | 2.0 | 6.0 | nan | AKT1 AKT2 AKT3 |
AGC | Cn1c(c(cn1)Cl)c2cc(oc2Cl)C(=O)N[C@@H](Cc3ccc(c(c3)F)F)CN | AXTAPYRUEKNRBA-JTQLQIEISA-N | nan | None | Single Stereoisomer | GSK-2141795 GSK-2141795C GSK2141795 GSK2141795C UPROSERTIB |
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Olmutinib |
2 | Hanmi Pharmaceutical | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 1.0 | 486.2 | 5.1 | 82.6 | 8.0 | 2.0 | 7.0 | For use in treatment of metastatic T790M mutation positive non-small cell lung cancer | EGFR | Tyr | CN1CCN(CC1)c2ccc(cc2)Nc3nc4ccsc4c(n3)Oc5cccc(c5)NC(=O)C=C | FDMQDKQUTRLUBU-UHFFFAOYSA-N | nan | None | Achiral Molecule | BI 1482694 BI-1482694 HM-61713 HM61713 OLMUTINIB |
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Onvansertib |
2 | Cardiff Oncology | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'937' | 2yac | nan | 1.0 | 532.2 | 1.9 | 134.7 | 10.0 | 3.0 | 7.0 | nan | nan | CN1CCN(CC1)c2ccc(c(c2)Nc3ncc4c(n3)-c5c(c(nn5CCO)C(=O)N)CC4)OC(F)(F)F | QHLVBNKYJGBCQJ-UHFFFAOYSA-N | nan | None | Achiral Molecule | NMS-1286937 NMS-P937 ONVANSERTIB PCM-075 |
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Vactosertib |
2 | MedPacto | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 399.2 | 4.2 | 83.8 | 6.0 | 2.0 | 5.0 | Vactosertib (EW-7197) acts as in inhibitor of transforming growth factor beta receptor 1B (ALK5) and activin A receptor type IB (ALK4). The compound is potent, selective, and orally bioavailable, and exhibits experimental anti-tumour activity. |
nan | Cc1cccc(n1)c2c(nc([nH]2)CNc3ccccc3F)c4ccc5ncnn5c4 | FJCDSQATIJKQKA-UHFFFAOYSA-N | nan | None | Achiral Molecule | TEW 7197 TEW-7197 VACTOSERTIB |
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Orelabrutinib |
2 | InnoCare Pharma | ChemSpider PubChem DrugBank Guide to Pharmacology FDA SRS BindingDB |
nan | 0.0 | 427.2 | 4.5 | 85.5 | 4.0 | 1.0 | 6.0 | nan | nan | C=CC(=O)N1CCC(CC1)C1=CC=C(C(N)=O)C(=N1)C1C=CC(=CC=1)OC1C=CC=CC=1 | MZPVEMOYADUARK-UHFFFAOYSA-N | nan | None | Achiral Molecule | ICP-022 |
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Mivavotinib |
2 | Takeda | ChemSpider ChEMBL PubChem RCSB PDBe Guide to Pharmacology FDA SRS BindingDB |
'7KG' | 5tr6 | nan | 0.0 | 344.2 | 1.5 | 97.9 | 6.0 | 3.0 | 3.0 | nan | nan | Cn1cc(-c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c2C(=O)NC3)cn1 | MJHOMTRKVMKCNE-NWDGAFQWSA-N | nan | None | Single Stereoisomer | MIVAVOTINIB TAK-659F |
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Roniciclib |
2 | Bayer | ChemSpider ChEMBL PubChem DrugBank ZINC FDA SRS BindingDB |
nan | 0.0 | 430.1 | 4.0 | 108.2 | 7.0 | 3.0 | 7.0 | nan | CDK1 CDK2 CDK4 CDK9 |
CMGC | C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)[S@](=N)(=O)C3CC3)C(F)(F)F)O | UELYDGOOJPRWGF-SRQXXRKNSA-N | nan | None | Single Stereoisomer | ||||||
Riviciclib |
2 | Piramal Enterprises | ChemSpider ChEMBL PubChem Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 401.1 | 3.3 | 94.1 | 6.0 | 3.0 | 3.0 | nan | CDK1 CDK4 CDK9 |
CMGC | CN1CC[C@H]([C@@H]1CO)c2c(cc(c3c2oc(cc3=O)c4ccccc4Cl)O)O | QLUYMIVVAYRECT-OCCSQVGLSA-N | nan | None | Racemic Mixture | ||||||
Ifidancitinib |
2 | Rigel Pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology FDA SRS |
nan | 0.0 | 395.1 | 4.2 | 105.1 | 7.0 | 3.0 | 5.0 | nan | nan | COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F | OYFMQDVLFYKOPZ-UHFFFAOYSA-N | nan | None | Achiral Molecule | A-301 ATI-502 IFIDANCITINIB |
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Paxalisib |
2 | Genentech | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 382.2 | 1.0 | 117.1 | 10.0 | 1.0 | 2.0 | nan | nan | CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12 | LGWACEZVCMBSKW-UHFFFAOYSA-N | nan | None | Achiral Molecule | G-02441729 G02441729 GDC-0084 GDC0084 PAXALISIB RG-7666 |
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Pelitinib |
2 | Wyeth | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'93J' | 5vcw 7axm | 1 | 1.0 | 467.2 | 5.1 | 90.3 | 6.0 | 2.0 | 8.0 | nan | EGFR ERBB2 |
Tyr | CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F | WVUNYSQLFKLYNI-AATRIKPKSA-N | nan | None | Achiral Molecule | EKB-569 PELITINIB WAY-EKB-569 |
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Ripasudil |
2 | Kowa Pharmaceutical | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 323.1 | 1.7 | 62.3 | 4.0 | 1.0 | 2.0 | nan | nan | C[C@H]1CNCCCN1S(=O)(=O)c2cccc3c2c(cnc3)F | QSKQVZWVLOIIEV-NSHDSACASA-N | nan | None | Single Stereoisomer | RIPASUDIL | ||||||
Defactinib |
2 | Verastem | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'7KD' | 5mah | 1 | 1.0 | 510.1 | 2.4 | 142.1 | 9.0 | 3.0 | 8.0 | nan | PTK2 PTK2B |
Tyr | CNC(=O)c1ccc(cc1)Nc2ncc(c(n2)NCc3c(nccn3)N(C)S(=O)(=O)C)C(F)(F)F | FWLMVFUGMHIOAA-UHFFFAOYSA-N | nan | None | Achiral Molecule | DEFACTINIB PF-04554878 VS-6063 |
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Pictilisib |
2 | Hoffmann-La Roche | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'GD9' | 2wxp 2y3a 3dbs | 1 | 1.0 | 513.2 | 2.1 | 107.6 | 9.0 | 1.0 | 5.0 | nan | PIK3CA PIK3CB PIK3CD PIK3CG |
Atypical | CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6 | LHNIIDJUOCFXAP-UHFFFAOYSA-N | nan | None | Achiral Molecule | CDC-0941 GDC 0941 GDC-0941 PICTILISIB RG-7321 |
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Delgocitinib |
2 | Japan Tobacco | ChemSpider ChEMBL PubChem BindingDB |
nan | 0.0 | 310.2 | 1.3 | 88.9 | 5.0 | 1.0 | 2.0 | nan | nan | CC1CN(C12CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N | LOWWYYZBZNSPDT-UHFFFAOYSA-N | nan | None | Single Stereoisomer | |||||||
Pimasertib |
as703026; emd 1036239;AS703026;EMD 1036239;MSC1936369A;Msc1936369a;Msc1936369a; as703026; emd 1036239;as703026 | 2 | Merck | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'QOA' | 7m0w | nan | 0.0 | 431.0 | 1.7 | 94.5 | 5.0 | 4.0 | 6.0 | nan | MAP2K1 MAP2K2 |
STE | c1cc(c(cc1I)F)Nc2cnccc2C(=O)NC[C@@H](CO)O | VIUAUNHCRHHYNE-JTQLQIEISA-N | nan | None | Single Stereoisomer | AS 703026 AS-703026 AS703026 EMD 1036239 EMD-1036239 G-02443714 MSC-1936369A MSC-1936369B MSC1936369A MSC1936369A; AS703026; EMD 1036239 PIMASERTIB |
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Poziotinib |
2 | Hanmi Pharmaceutical | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 1.0 | 490.1 | 5.4 | 76.6 | 6.0 | 1.0 | 6.0 | nan | EGFR | Tyr | COc1cc2c(cc1OC3CCN(CC3)C(=O)C=C)c(ncn2)Nc4ccc(c(c4F)Cl)Cl | LPFWVDIFUFFKJU-UHFFFAOYSA-N | nan | None | Achiral Molecule | HM 781-36 HM 781-36B HM-781-36 HM-781-36B NOV-120101 POZIOTINIB |
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Vistusertib |
2 | Astrazeneca | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 462.2 | 2.5 | 92.7 | 8.0 | 1.0 | 4.0 | nan | MTOR | Atypical | C[C@H]1COCCN1c2c3ccc(nc3nc(n2)N4CCOC[C@@H]4C)c5cccc(c5)C(=O)NC | JUSFANSTBFGBAF-IRXDYDNUSA-N | nan | None | Single Stereoisomer | AZD-2014 AZD2014 VISTUSERTIB |
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Edicotinib |
2 | Janssen | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 1.0 | 461.3 | 6.0 | 103.7 | 5.0 | 2.0 | 4.0 | nan | nan | CC1(CCC(=CC1)c2c(ccc(n2)C3CC(OC(C3)(C)C)(C)C)NC(=O)c4[nH]c(cn4)C#N)C | BNVPFDRNGHMRJS-UHFFFAOYSA-N | nan | None | Achiral Molecule | EDICOTINIB JNJ-40346527 |
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Vodobatinib |
2 | Sun Pharma Advanced Research Company | ChemSpider ChEMBL PubChem Guide to Pharmacology FDA SRS |
nan | 0.0 | 453.1 | 5.0 | 71.1 | 3.0 | 2.0 | 2.0 | nan | nan | Cc1ccc(C(=O)NNC(=O)c2c(C)cccc2Cl)cc1C#Cc1cnc2ccccc2c1 | ZQOBVMHBVWNVBG-UHFFFAOYSA-N | nan | None | Achiral Molecule | K0706 VODOBATINIB |
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Rogaratinib |
2 | Bayer | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology FDA SRS BindingDB |
nan | 0.0 | 466.2 | 2.6 | 107.0 | 9.0 | 2.0 | 6.0 | Rogaratinib (BAY-1163877) is a FGFR-selective kinase inhibitor that is being investigated for antineoplastic activity. | nan | Cc1cc2cc(sc2c(c1)OC)c3c(c(n4c3c(ncn4)N)CN5CCNC(=O)C5)COC | HNLRRJSKGXOYNO-UHFFFAOYSA-N | nan | None | Achiral Molecule | BAY-1163877 ROGARATINIB |
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Opaganib |
2.5 | RedHill Biopharma | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology FDA SRS BindingDB |
nan | 0.0 | 380.2 | 4.9 | 42.0 | 2.0 | 1.0 | 4.0 | nan | nan | c1cc(ccc1C23CC4CC(C2)CC(C4)(C3)C(=O)NCc5ccncc5)Cl | CAOTVXGYTWCKQE-UHFFFAOYSA-N | nan | None | Achiral Molecule | ABC 294640 ABC-294640 OPAGANIB |
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Varlitinib |
2.5 | Array Biopharma | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 1.0 | 466.1 | 5.2 | 93.5 | 9.0 | 2.0 | 6.0 | Investigated for use/treatment in cancer/tumors (unspecified). | EGFR ERBB2 |
Tyr | C[C@@H]1COC(=N1)Nc2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5nccs5 | UWXSAYUXVSFDBQ-CYBMUJFWSA-N | nan | None | Single Stereoisomer | AR-00334543 ARRY-334543 ARRY-543 ASLAN-001 ASLAN001 VARLITINIB |
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Cerdulatinib |
2.5 | Portola pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 445.2 | 1.4 | 133.6 | 8.0 | 3.0 | 8.0 | nan | JAK1 SYK |
Tyr | CCS(=O)(=O)N1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC4CC4)C(=O)N | BGLPECHZZQDNCD-UHFFFAOYSA-N | nan | None | Single Stereoisomer | ||||||
Inavolisib |
2.5 | Genentech | ChemSpider PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 407.1 | 2.9 | 112.7 | 7.0 | 3.0 | 5.0 | nan | nan | C[C@@H](C(=N)O)Nc1ccc-2c(c1)OCCn3c2nc(c3)N4[C@@H](COC4=O)C(F)F | SGEUNORSOZVTOL-CABZTGNLSA-N | nan | None | Single Stereoisomer | RG6114 RO-7113755 RO7113755 RG-6114 GDC0077 INAVOLISIB RO7113755, GDC-0077 GDC-0077 |
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Leniolisib |
2.5 | Novartis | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'9NQ' | 5o83 | nan | 0.0 | 450.2 | 2.9 | 83.5 | 7.0 | 1.0 | 5.0 | nan | nan | CCC(=O)N1CC[C@@H](C1)Nc2c3c(ncn2)CCN(C3)c4cc(c(nc4)OC)C(F)(F)F | MWKYMZXCGYXLPL-ZDUSSCGKSA-N | nan | None | Single Stereoisomer | CDZ173-NX LENIOLISIB |
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Evobrutinib |
3 | Merck | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'MZJ' | 6omu | nan | 0.0 | 429.2 | 4.4 | 93.4 | 6.0 | 2.0 | 7.0 | nan | BTK | Tyr | C=CC(=O)N1CCC(CC1)CNc2c(c(ncn2)N)c3ccc(cc3)Oc4ccccc4 | QUIWHXQETADMGN-UHFFFAOYSA-N | nan | None | Achiral Molecule | EVOBRUTINIB M-2951 |
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Capivasertib |
3 | Astrazeneca | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'0XZ' | 4gv1 | nan | 0.0 | 428.2 | 2.1 | 120.2 | 6.0 | 4.0 | 6.0 | nan | AKT1 | AGC | c1cc(ccc1[C@H](CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl | JDUBGYFRJFOXQC-KRWDZBQOSA-N | nan | None | Single Stereoisomer | AZC5363 AZD 5363 AZD-5363 AZD5363 CAPIVASERTIB |
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Selonsertib |
3 | Gilead Sciences | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'NJV' | 6oyt | nan | 0.0 | 445.2 | 4.7 | 90.5 | 7.0 | 1.0 | 6.0 | nan | MAP3K5 | STE | Cc1cc(c(cc1n2cc(nc2)C3CC3)C(=O)Nc4cccc(n4)c5nncn5C(C)C)F | YIDDLAAKOYYGJG-UHFFFAOYSA-N | nan | None | Achiral Molecule | GS-4997 SELONSERTIB |
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Pyrotinib |
3 | Hengrui Therapeutics | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 2.0 | 582.2 | 6.5 | 112.4 | 8.0 | 2.0 | 10.0 | nan | EGFR ERBB2 |
Tyr | CCOc1cc2c(cc1NC(=O)/C=C/[C@H]3CCCN3C)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)OCc5ccccn5 | SADXACCFNXBCFY-IYNHSRRRSA-N | nan | None | Single Stereoisomer | ||||||
Enzastaurin |
Kinenza | 3 | Eli Lilly | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 1.0 | 515.2 | 4.9 | 72.2 | 6.0 | 1.0 | 5.0 | nan | nan | Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7 | AXRCEOKUDYDWLF-UHFFFAOYSA-N | nan | None | Achiral Molecule | DB-102 DB102 ENZASTAURIN KINENZA LY-317615 LY317615 |
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Fruquintinib |
3 | Hutchison MediPharma | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS |
nan | 0.0 | 393.1 | 3.9 | 95.7 | 7.0 | 1.0 | 5.0 | nan | FLT1 KDR FLT4 |
Tyr | Cc1c(c2ccc(cc2o1)Oc3c4cc(c(cc4ncn3)OC)OC)C(=O)NC | BALLNEJQLSTPIO-UHFFFAOYSA-N | nan | None | Achiral Molecule | FRUQUINTINIB HMPL-013 HMPL013 |
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Dinaciclib |
3 | Schering-Plough | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 396.2 | 2.3 | 92.6 | 7.0 | 2.0 | 7.0 | nan | CDK4 CDK6 BRDT |
(*) CMGC |
CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)[O-])N4CCCC[C@H]4CCO | PIMQWRZWLQKKBJ-SFHVURJKSA-N | nan | None | Single Stereoisomer | DINACICLIB MK-7965 SCH 727965 SCH-727965 |
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Deucravacitinib |
3 | Bristol Myers Squibb | ChemSpider ChEMBL PubChem Guide to Pharmacology FDA SRS BindingDB |
nan | 0.0 | 425.2 | 1.2 | 139.2 | 8.0 | 3.0 | 7.0 | nan | nan | C[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC | BZZKEPGENYLQSC-FIBGUPNXSA-N | nan | None | Achiral Molecule | BMS-986165 DEUCRAVACITINIB |
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Ipatasertib |
3 | Hoffmann-La Roche | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'0RF' | 4ekl | 1 | 0.0 | 457.2 | 3.1 | 81.6 | 6.0 | 2.0 | 6.0 | nan | AKT1 AKT2 AKT3 |
AGC | C[C@@H]1C[C@H](c2c1c(ncn2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)c4ccc(cc4)Cl)O | GRZXWCHAXNAUHY-NSISKUIASA-N | nan | None | Single Stereoisomer | GDC-0068 IPATASERTIB RG-7440 RG7440 |
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Lazertinib |
3 | Genosco | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology FDA SRS |
nan | 1.0 | 554.3 | 4.1 | 109.7 | 10.0 | 2.0 | 10.0 | Lazertinib (YH-25448, GNS-1480) is an inhibitor of the aberrant activity of EGFR mutant kinases, that was originally developed by Yuhan Corporation for antineoplastic potential in cancers with (acquired) resistance to existing EGFR tyrosine kinase inhibitors, in particular for EGFR mutation positive, advanced non-small cell lung cancer (NSCLC). In addition to predicted efficacy for the treatment of primary lung and extracranial lesions, lazertinib is expected to be beneficial for NSCLC brain metastases as it is able to cross the blood brain barrier. |
nan | CN(C)Cc1cn(nc1c2ccccc2)c3ccnc(n3)Nc4cc(c(cc4OC)N5CCOCC5)NC(=O)C=C | RRMJMHOQSALEJJ-UHFFFAOYSA-N | nan | None | Achiral Molecule | C-18112003-G GNS-1480 GNS1480 JNJ-73841937-AAA LAZERTINIB YH-25448 YH25448 |
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Lestaurtinib |
3 | Cephalon | ChemSpider ChEMBL PubChem Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 439.2 | 3.5 | 88.7 | 6.0 | 3.0 | 1.0 | nan | FLT3 | Tyr | C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O | UIARLYUEJFELEN-LROUJFHJSA-N | nan | None | Single Stereoisomer | A-154475 A-154475.0 CEP-701 KT-555 KT-5555 KT5555 LESTAURTINIB SP-924 SP924 SPM-924 |
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Ensartinib |
3 | Xcovery | ChemSpider ChEMBL PubChem DrugBank ZINC FDA SRS BindingDB |
nan | 1.0 | 560.2 | 4.7 | 122.5 | 7.0 | 3.0 | 6.0 | nan | ALK | Tyr | C[C@@H]1CN(C[C@@H](N1)C)C(=O)c2ccc(cc2)NC(=O)c3cc(c(nn3)N)O[C@H](C)c4c(ccc(c4Cl)F)Cl | GLYMPHUVMRFTFV-QLFBSQMISA-N | nan | None | Single Stereoisomer | ENSARTINIB X-396 |
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Alflutinib |
3 | Allist Pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology FDA SRS |
nan | 1.0 | 568.3 | 4.8 | 100.4 | 9.0 | 2.0 | 11.0 | nan | nan | C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OCC(F)(F)F)nc1N(C)CCN(C)C | GHKOONMJXNWOIW-UHFFFAOYSA-N | nan | None | Achiral Molecule | ALFLUTINIB AST-2818 AST2818 |
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Aumolertinib |
3 | Jiangsu Hansoh Pharmaceutical | ChemSpider PubChem Guide to Pharmacology FDA SRS |
nan | 2.0 | 525.3 | 5.3 | 87.6 | 8.0 | 2.0 | 11.0 | nan | nan | CN(C)CCN(C)C1C=C(OC)C(=CC=1NC(=O)C=C)NC1N=C(C=CN=1)C1=CN(C2CC2)C2C=CC=CC=21 | DOEOECWDNSEFDN-UHFFFAOYSA-N | nan | None | Unknown | Almonertinib EQ143 HS-10296 AMEILE |
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Quizartinib |
3 | Ambit Biosciences | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'P30' | 4rt7 4xuf | 2 | 2.0 | 560.2 | 5.9 | 106.2 | 9.0 | 2.0 | 7.0 | nan | FLT3 CSF1R KIT |
Tyr | CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c5ccc(cc5sc4n3)OCCN6CCOCC6 | CVWXJKQAOSCOAB-UHFFFAOYSA-N | nan | None | Achiral Molecule | AC-010220 AC-220 AC010220 AC220 ASP-2689 QUIZARTINIB |
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Saracatinib |
3 | Astrazeneca | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'H8H' | 2h8h 4qmx 5vcx 5vd3 6zgc | 1 | 1.0 | 541.2 | 3.9 | 90.4 | 10.0 | 1.0 | 8.0 | nan | SRC ABL1 |
Tyr | CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl | OUKYUETWWIPKQR-UHFFFAOYSA-N | nan | None | Achiral Molecule | AZ-10353926 AZD-0530 AZD0530 SARACATINIB |
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Alvocidib |
3 | Sanofi | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'CPB' | 1c8k 1e1y 3blr 3ebp 4o71 | nan | 0.0 | 401.1 | 3.3 | 94.1 | 6.0 | 3.0 | 2.0 | Investigated for use/treatment in esophageal cancer, leukemia (lymphoid), lung cancer, liver cancer, and lymphoma (unspecified). | nan | CN1CC[C@@H]([C@@H](C1)O)c2c(cc(c3c2oc(cc3=O)c4ccccc4Cl)O)O | BIIVYFLTOXDAOV-YVEFUNNKSA-N | nan | None | Single Stereoisomer | ALVOCIDIB FLAVOPIRIDOL HL 275 HL-275 HMR 1275 HMR-1275 L 86 8275 L-868275 L86-8275 MDL 107,826A MDL-107826A NSC-649890 |
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Asciminib |
3 | Novartis | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS |
'AY7' | 5mo4 | nan | 0.0 | 449.1 | 3.5 | 103.4 | 6.0 | 3.0 | 6.0 | nan | nan | c1cc(ccc1NC(=O)c2cc(c(nc2)N3CC[C@H](C3)O)c4ccn[nH]4)OC(F)(F)Cl | VOVZXURTCKPRDQ-CQSZACIVSA-N | nan | None | Single Stereoisomer | ABL-001 ABL001 ABL001-NX ASCIMINIB NVP-ABL001 |
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Savolitinib |
3 | Astrazeneca | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'V0L' | 5lbw 6sde | nan | 0.0 | 345.1 | 1.9 | 91.6 | 9.0 | 0.0 | 3.0 | nan | MET | Tyr | C[C@@H](c1ccc2nccn2c1)n3c4c(ncc(n4)c5cnn(c5)C)nn3 | XYDNMOZJKOGZLS-NSHDSACASA-N | nan | None | Single Stereoisomer | AZD-6094 AZD6094 HMPL-504 SAVOLITINIB VOLITINIB |
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Rociletinib |
3 | Clovis Oncology | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'8JC' | 5xdk 5xdl | 1 | 1.0 | 555.2 | 4.8 | 111.7 | 8.0 | 3.0 | 8.0 | nan | EGFR | Tyr | CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4cccc(c4)NC(=O)C=C)C(F)(F)F | HUFOZJXAKZVRNJ-UHFFFAOYSA-N | nan | None | Achiral Molecule | AVL-301 CNX-419 CO-1686 CS-1631 ROCILETINIB |
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Abrocitinib |
3 | Pfizer | ChemSpider PubChem |
nan | 0.0 | 323.1 | 1.3 | 91.0 | 5.0 | 2.0 | 6.0 | nan | nan | CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2 | IUEWXNHSKRWHDY-UHFFFAOYSA-N | nan | None | Single Stereoisomer | PF-04965842 ABROCITINIB |
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Abivertinib |
3 | ACEA Biosciences | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 487.2 | 4.5 | 98.4 | 7.0 | 3.0 | 7.0 | AC0010 is an orally active, irreversible EGFR inhibitor that selectively targets mutated EGFRs, and was designed to overcome T790M-induced resistance in tumours [2]. It may also inhibit BTK, thus offering extended clinical utility [3]. We show the structure for the free base form of the compound. |
nan | CN1CCN(CC1)c2ccc(cc2F)Nc3nc4c(cc[nH]4)c(n3)Oc5cccc(c5)NC(=O)C=C | UOFYSRZSLXWIQB-UHFFFAOYSA-N | nan | None | Achiral Molecule | A610 ABIVERTINIB AC-0010 AC0010 ACEA100610 AVITINIB EX-ACEA0010 |
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Semaxanib |
3 | Sugen | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'X2M' | 2x2m | 1 | 0.0 | 238.1 | 3.1 | 44.9 | 1.0 | 2.0 | 1.0 | Investigated for use/treatment in colorectal cancer and lung cancer. | KDR | Tyr | Cc1cc([nH]c1/C=C\2/c3ccccc3NC2=O)C | WUWDLXZGHZSWQZ-WQLSENKSSA-N | nan | None | Achiral Molecule | NSC-696819 SEMAXANIB SEMAXINIB SU-5416 SU005416 SU5416 |
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Rilzabrutinib |
3 | Principia Biopharma | ChemSpider ChEMBL PubChem Guide to Pharmacology ZINC FDA SRS |
nan | 2.0 | 665.3 | 4.4 | 138.7 | 11.0 | 1.0 | 8.0 | nan | nan | CC(C)(/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1 | LCFFREMLXLZNHE-GBOLQPHISA-N | nan | None | Single Stereoisomer | PRN1008 RILZABRUTINIB |
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Rigosertib |
3 | Onconova Therapeutics | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'6FS' | 5j18 5j2r 5ov7 | 3 | 0.0 | 451.1 | 2.8 | 120.4 | 8.0 | 2.0 | 11.0 | nan | PIK3CA PLK1 |
Other Atypical |
COc1ccc(cc1NCC(=O)O)CS(=O)(=O)/C=C/c2c(cc(cc2OC)OC)OC | OWBFCJROIKNMGD-BQYQJAHWSA-N | nan | None | Achiral Molecule | ON 01910 RIGOSERTIB |
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Radotinib |
3 | Il-Yang Pharmaceutical | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS |
nan | 2.0 | 530.2 | 5.8 | 110.5 | 8.0 | 2.0 | 6.0 | Radotinib is indicated for the treatment of different types of cancer, most notably Philadelphia chromosome-positive (Ph+) chronic myeloid leukemia (CML) with resistance or intolerance of other Bcr-Abl tyrosine-kinase inhibitors, such as patients resistant or intolerant to imatinib. |
ABL1 PDGFRB |
Tyr | Cc1ccc(cc1Nc2nccc(n2)c3cnccn3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F | DUPWHXBITIZIKZ-UHFFFAOYSA-N | nan | None | Achiral Molecule | IY5511 RADOTINIB |
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Linifanib |
3 | Abbott Laboratories | ChemSpider ChEMBL PubChem Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 375.1 | 4.9 | 95.8 | 3.0 | 4.0 | 3.0 | nan | FLT3 CSF1R KDR |
Tyr | Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F | MPVGZUGXCQEXTM-UHFFFAOYSA-N | nan | None | Achiral Molecule | A-741439 ABT-869 AL-39324 LINIFANIB RG-3635 |
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Sitravatinib |
3 | Mirati Therapeutics | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 2.0 | 629.2 | 6.5 | 114.5 | 8.0 | 3.0 | 12.0 | nan | RET DDR2 NTRK1 NTRK2 NTRK3 |
Tyr | COCCNCc1ccc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F | WLAVZAAODLTUSW-UHFFFAOYSA-N | nan | None | Achiral Molecule | MG-516 MG-91516 MGCD-516 MGCD516 SITRAVATINIB |
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Alisertib |
3 | Millennium Pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'A5B' | 5ia0 | 1 | 2.0 | 518.1 | 5.7 | 105.9 | 7.0 | 2.0 | 6.0 | For the treatment of various forms of cancer. | AURKA | Other | COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F | ZLHFILGSQDJULK-UHFFFAOYSA-N | nan | None | Achiral Molecule | ALISERTIB MLN 8237 MLN-8237 MLN8237 |
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Linsitinib |
3 | Osi Pharmaceuticals | ChemSpider ChEMBL DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 421.2 | 4.8 | 89.3 | 6.0 | 2.0 | 3.0 | nan | IGF1R | Tyr | C[C@]1(C[C@@H](C1)c2n3c(c(ncc3)N)c(n2)c4cc5nc(ccc5cc4)c6ccccc6)O | PKCDDUHJAFVJJB-VLZXCDOPSA-N | nan | None | Single Stereoisomer | ASP-7487 LINSITINIB OSI-906 OSI-906AA |
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Ruboxistaurin |
Arxxant | 3 | Eli Lilly | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'LY4' | 1uu3 2j2i | nan | 0.0 | 468.2 | 3.5 | 68.5 | 6.0 | 1.0 | 2.0 | nan | nan | CN(C)C[C@@H]1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O | ZCBUQCWBWNUWSU-SFHVURJKSA-N | nan | None | Single Stereoisomer | ARXXANT LY-333531 RUBOXISTAURIN |
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Losmapimod |
3 | GlaxoSmithKline | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 383.2 | 3.9 | 71.1 | 3.0 | 2.0 | 5.0 | nan | MAPK14 MAPK11 MAPK13 MAPK12 |
CMGC | Cc1c(cc(cc1F)C(=O)NC2CC2)c3ccc(cn3)C(=O)NCC(C)(C)C | KKYABQBFGDZVNQ-UHFFFAOYSA-N | nan | None | Achiral Molecule | FTX-1821 FTX1821 GSK-AHAB GSKAHAB GW-856553 GW-856553X GW856553X LOSMAPIMOD |
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Simotinib |
3 | Advenchen Laboratories | ChemSpider ChEMBL PubChem Guide to Pharmacology ZINC FDA SRS |
nan | 1.0 | 500.2 | 4.4 | 78.0 | 8.0 | 1.0 | 7.0 | nan | EGFR | Tyr | COc1cc2c(cc1OCCN3CC4(CC4)C5(C3)OCCO5)c(ncn2)Nc6ccc(c(c6)Cl)F | OXWUWXCJDBRCCG-UHFFFAOYSA-N | nan | None | Achiral Molecule | SIM-6802 SIMOTINIB |
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Peficitinib |
3 | Astellas Pharma | ChemSpider ChEMBL RCSB PDBe ZINC |
'9T6' | 6aah 6aaj 6aak 6aam | nan | 0.0 | 326.2 | 2.0 | 104.0 | 4.0 | 4.0 | 3.0 | nan | JAK1 JAK2 JAK3 TYK2 |
Tyr | c1c[nH]c2c1c(c(cn2)C(=O)N)N[C@@H]3[C@@H]4C[C@@H]5C[C@H]3C[C@@](C5)(C4)O | DREIJXJRTLTGJC-ZKVNVPQCSA-N | nan | None | Racemic Mixture | ||||
Fenebrutinib |
3 | Genentech | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'9AJ' | 5vfi | nan | 2.0 | 664.3 | 3.6 | 121.0 | 11.0 | 2.0 | 7.0 | nan | nan | C[C@H]1CN(CCN1c2ccc(nc2)Nc3cc(cn(c3=O)C)c4ccnc(c4CO)N5CCn6c(cc7c6CC(C7)(C)C)C5=O)C8COC8 | WNEODWDFDXWOLU-QHCPKHFHSA-N | nan | None | Single Stereoisomer | FENEBRUTINIB G-02599853 G02599853 GDC-0853 RG-7845 RG7845 RO-7010939 RO7010939 |
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Zandelisib |
3 | Pathway Therapeutics | ChemSpider PubChem Guide to Pharmacology ZINC FDA SRS |
NaN | 2.0 | 576.3 | 5.2 | 84.2 | 9.0 | 1.0 | 8.0 | nan | (*) | CN1CCC(c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1 | WPFUFWIHMYZXSF-UHFFFAOYSA-N | NaN | None | Achiral Molecule | PWT-143 PWT143 ME-401 ACC-524 PW-143 |
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Futibatinib |
3 | Taiho Pharmaceutical | ChemSpider ChEMBL PubChem BindingDB |
nan | 0.0 | 418.2 | 1.8 | 108.4 | 8.0 | 1.0 | 4.0 | nan | nan | COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CCN(C4)C(=O)C=C)N | KEIPNCCJPRMIAX-UHFFFAOYSA-N | nan | None | Single Stereoisomer | |||||||
Brivanib alaninate |
3 | Bristol Myers Squibb | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS |
nan | 0.0 | 441.2 | 3.4 | 116.8 | 8.0 | 2.0 | 7.0 | nan | nan | Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1 | LTEJRLHKIYCEOX-OCCSQVGLSA-N | nan | None | Single Stereoisomer | BMS-582664 BMS-582664-02 BRIVANIB ALANINATE BRIVANIB L-ALANINE ESTER |
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Surufatinib |
3 | Hutchison MediPharma | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS |
nan | 0.0 | 480.2 | 3.8 | 112.2 | 7.0 | 3.0 | 10.0 | nan | nan | Cc1cc2cc(ccc2[nH]1)Oc3ccnc(n3)Nc4cccc(c4)CS(=O)(=O)NCCN(C)C | TTZSNFLLYPYKIL-UHFFFAOYSA-N | nan | None | Achiral Molecule | HMPL-012 SULFATINIB SURUFATINIB |
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Tivantinib |
3 | Daiichi Sankyo | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'TIV' | 5cb4 | nan | 0.0 | 369.1 | 3.6 | 66.9 | 3.0 | 2.0 | 2.0 | nan | MET | Tyr | c1ccc2c(c1)c(c[nH]2)[C@H]3[C@@H](C(=O)NC3=O)c4cn5c6c4cccc6CCC5 | UCEQXRCJXIVODC-PMACEKPBSA-N | nan | None | Single Stereoisomer | ARQ 197 ARQ-197 TIVANTINIB |
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Tesevatinib |
3 | Kadmon Corporation | ChemSpider ChEMBL DrugBank ZINC FDA SRS BindingDB |
nan | 1.0 | 490.1 | 5.8 | 59.5 | 6.0 | 1.0 | 6.0 | nan | EGFR ERBB2 KDR FLT4 EPHB4 |
Tyr | CN1C[C@H]2C[C@H](C[C@H]2C1)COc3cc4c(cc3OC)c(ncn4)Nc5ccc(c(c5F)Cl)Cl | HVXKQKFEHMGHSL-QKDCVEJESA-N | nan | None | Racemic Mixture | EXEL-7647 KD-019 KD-020 KD019 TESEVATINIB XL-647 XL647 |
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Ritlecitinib |
3 | Pfizer | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 285.2 | 1.9 | 73.9 | 4.0 | 2.0 | 3.0 | nan | nan | C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C | CBRJPFGIXUFMTM-WDEREUQCSA-N | nan | None | Single Stereoisomer | PF-06651600 RITLECITINIB |
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Taselisib |
3 | Hoffmann-La Roche | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'799' | 5t8f | 1 | 0.0 | 460.2 | 3.2 | 118.7 | 9.0 | 1.0 | 5.0 | nan | PIK3CA PIK3CD PIK3CG |
Atypical | Cc1nc(n(n1)C(C)C)c2cn3c(n2)-c4ccc(cc4OCC3)c5cnn(c5)C(C)(C)C(=O)N | BEUQXVWXFDOSAQ-UHFFFAOYSA-N | nan | None | Racemic Mixture | GDC-0032 RG-7604 TASELISIB |
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Barasertib |
3 | Astrazeneca | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 1.0 | 587.2 | 3.6 | 174.8 | 9.0 | 5.0 | 15.0 | nan | AURKB | Other | CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCOP(=O)(O)O | GBJVVSCPOBPEIT-UHFFFAOYSA-N | nan | None | Achiral Molecule | AZD 1152 AZD-1152 AZD1152 BARASERTIB |
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Dactolisib |
3 | Novartis | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 1.0 | 469.2 | 5.9 | 76.5 | 6.0 | 0.0 | 3.0 | nan | PIK3CA PIK3CB PIK3CG PIK3CD MTOR |
Atypical | CC(C)(C#N)c1ccc(cc1)n2c3c4cc(ccc4ncc3n(c2=O)C)c5cc6ccccc6nc5 | JOGKUKXHTYWRGZ-UHFFFAOYSA-N | nan | None | Achiral Molecule | BEZ-235 BEZ235 DACTOLISIB NVP-BEZ235 NVP-BEZ235-NX RTB-101 RTB101 |
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Vatalanib |
3 | Novartis | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 1.0 | 346.1 | 5.0 | 50.7 | 4.0 | 1.0 | 4.0 | Used in combination with first- and second-line chemotherapy for the treatment of metastatic colorectal cancer and non-small cell lung cancer (NSCLC). | FLT1 KDR FLT4 |
Tyr | c1ccc2c(c1)c(nnc2Nc3ccc(cc3)Cl)Cc4ccncc4 | YCOYDOIWSSHVCK-UHFFFAOYSA-N | nan | None | Achiral Molecule | BAY-86-5127 CGP-79787 K-222584 NVP-PTK787 PTK-787 PTK787 VATALANIB ZK-222584 |
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Crenolanib |
3 | Arog Pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'6T2' | 5lby 6bqp 6joi 6joj | 1 | 0.0 | 443.2 | 3.9 | 78.4 | 7.0 | 1.0 | 5.0 | nan | FLT3 PDGFRA PDGFRB |
Tyr | CC1(COC1)COc2ccc3c(c2)ncn3c4ccc5cccc(c5n4)N6CCC(CC6)N | DYNHJHQFHQTFTP-UHFFFAOYSA-N | nan | None | Achiral Molecule | ARO 002 ARO-002 CP 868596 CP-868,596 CP-868596 CRENOLANIB |
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Volasertib |
3 | Boehringer Ingelheim | ChemSpider ChEMBL DrugBank RCSB PDBe Guide to Pharmacology FDA SRS BindingDB |
'IBI' | 3fc2 5v67 5vbr 7lak 7lej 7n7n | 1 | 1.0 | 618.4 | 4.3 | 106.2 | 9.0 | 2.0 | 10.0 | nan | PLK1 | Other | CC[C@H]1N(c2nc(ncc2N(C1=O)C)Nc3c(cc(cc3)C(=O)N[C@H]4CC[C@@H](CC4)N5CCN(CC5)CC6CC6)OC)C(C)C | SXNJFOWDRLKDSF-STROYTFGSA-N | nan | None | Single Stereoisomer | BI 6727 BI-6727 VOLASERTIB |
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Tolebrutinib |
3 | Principia Biopharma | ChemSpider PubChem Guide to Pharmacology FDA SRS |
nan | 0.0 | 455.2 | 3.9 | 95.4 | 7.0 | 1.0 | 5.0 | nan | nan | C=CC(=O)N1CCCC(C1)N2C3=C(C(=NC=C3)N)N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5 | KOEUOFPEZFUWRF-LJQANCHMSA-N | nan | None | Single Stereoisomer | SAR442168 |
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Dovitinib |
3 | Novartis | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe ZINC FDA SRS BindingDB |
'38O' | 4tyi 5a46 5am6 5am7 5owq 7akg | 1 | 0.0 | 392.2 | 2.5 | 94.0 | 5.0 | 3.0 | 2.0 | nan | FGFR3 VEGFA FGFR1 PDGFRA KIT CSF1R |
(*) Tyr |
CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4c(c5c(cccc5F)[nH]c4=O)N | PIQCTGMSNWUMAF-UHFFFAOYSA-N | nan | None | Achiral Molecule | CHIR-258 DOVITINIB GFKI-258 NVP-TKI258 TKI-258 |
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Mobocertinib |
4 | Takeda | ChemSpider PubChem DrugBank Guide to Pharmacology FDA SRS BindingDB |
NaN | 2.0 | 585.3 | 5.1 | 113.8 | 10.0 | 2.0 | 12.0 | On September 2021, FDA approved mobocertinib to treat ocally advanced or metastatic non-small cell lung cancer with epidermal growth factor receptor exon 20 insertion mutations |
nan | (*) | C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C | AZSRSNUQCUDCGG-UHFFFAOYSA-N | 2021 | None | Achiral Molecule | AP32788 AP-32788 TAK-788 |
Y | ||||
Canertinib |
3 | Pfizer | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 485.2 | 4.4 | 88.6 | 7.0 | 2.0 | 9.0 | Investigated for use/treatment in breast cancer and lung cancer. | EGFR | Tyr | C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F | OMZCMEYTWSXEPZ-UHFFFAOYSA-N | nan | None | Achiral Molecule | CANERTINIB CI-1033 |
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Masitinib |
Kinavet;Masivet | 3 | AB Science | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'G65' | 5mql 7ju7 | nan | 1.0 | 498.2 | 5.3 | 73.4 | 7.0 | 2.0 | 7.0 | nan | KIT PDGFRA PDGFRB FGFR1 FGFR2 FGFR3 |
Tyr | Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C | WJEOLQLKVOPQFV-UHFFFAOYSA-N | nan | None | Achiral Molecule | AB-1010 KINAVET MASITINIB MASIVET |
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Momelotinib |
3 | Ym Biosciences Australia | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'C87' | 6fdz 7nns | nan | 0.0 | 414.2 | 3.0 | 103.2 | 7.0 | 2.0 | 6.0 | nan | JAK1 JAK2 JAK3 |
Tyr | c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)C(=O)NCC#N | ZVHNDZWQTBEVRY-UHFFFAOYSA-N | nan | None | Achiral Molecule | CYT-0387 CYT-11387 CYT-387 CYT387 GS-0387 MOMELOTINIB |
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Motesanib |
3 | Amgen | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'706' | 3efl | 2 | 0.0 | 373.2 | 4.0 | 78.9 | 5.0 | 3.0 | 5.0 | nan | FLT1 KDR FLT4 PDGFRA PDGFRB KIT RET |
Tyr | CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C | RAHBGWKEPAQNFF-UHFFFAOYSA-N | nan | None | Achiral Molecule | AMG 706 AMG-706 MOTESANIB |
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Naquotinib |
3 | Astellas Pharma | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'8RC' | 5y9t | nan | 1.0 | 562.3 | 2.3 | 120.2 | 9.0 | 2.0 | 9.0 | nan | EGFR | Tyr | CCc1c(nc(c(n1)C(=O)N)Nc2ccc(cc2)N3CCC(CC3)N4CCN(CC4)C)O[C@@H]5CCN(C5)C(=O)C=C | QKDCLUARMDUUKN-XMMPIXPASA-N | nan | None | Single Stereoisomer | ASP-8273 ASP8273 NAQUOTINIB |
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Chiauranib |
3 | Chipscreen Biosciences | ChemSpider PubChem DrugBank Guide to Pharmacology FDA SRS |
nan | 1.0 | 435.2 | 6.0 | 86.5 | 5.0 | 2.0 | 5.0 | nan | nan | COC1=CC=C2C(=CC=NC2=C1)OC1=CC2=CC=CC(C(=O)NC3=CC=CC=C3N)=C2C=C1 | BRKWREZNORONDU-UHFFFAOYSA-N | nan | None | Single Stereoisomer | CS2164 CS-2164 |
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Cediranib |
Recentin | 3 | Astrazeneca | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 1.0 | 450.2 | 5.2 | 72.5 | 6.0 | 1.0 | 8.0 | For the treatment of liver cancer, advanced non-small cell lung cancer (NSCLC), advanced colorectal cancer (CRC) and other solid tumors. | KDR | Tyr | Cc1cc2c([nH]1)ccc(c2F)Oc3c4cc(c(cc4ncn3)OCCCN5CCCC5)OC | XXJWYDDUDKYVKI-UHFFFAOYSA-N | nan | None | Achiral Molecule | AZD-2171 AZD2171 CEDIRANIB RECENTIN ZD-2171 |
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Nazartinib |
3 | Novartis | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 494.2 | 4.3 | 83.4 | 6.0 | 1.0 | 6.0 | nan | nan | Cc1cc(ccn1)C(=O)Nc2nc3cccc(c3n2[C@@H]4CCCCN(C4)C(=O)/C=C/CN(C)C)Cl | IOMMMLWIABWRKL-WUTDNEBXSA-N | nan | None | Single Stereoisomer | EGF-816 EGF816 NAZARTINIB NVP-EGF816-NX |
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Pacritinib |
3 | Cell Therapeutics | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'6T3' | 5lbz | nan | 0.0 | 472.2 | 5.0 | 68.7 | 7.0 | 1.0 | 4.0 | nan | JAK2 | Tyr | c1cc2cc(c1)-c3ccnc(n3)Nc4ccc(c(c4)COC/C=C/COC2)OCCN5CCCC5 | HWXVIOGONBBTBY-ONEGZZNKSA-N | nan | None | Achiral Molecule | ONX-0803 PACRITINIB SB-1518 SB1518 |
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Famitinib |
3 | Jiangsu Hengrui Medicine | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 410.2 | 3.3 | 68.4 | 3.0 | 2.0 | 6.0 | nan | KIT KDR FLT4 PDGFRA PDGFRB FLT1 FLT3 |
Tyr | CCN(CC)CCN1CCc2c(c(c([nH]2)/C=C\3/c4cc(ccc4NC3=O)F)C)C1=O | GKEYKDOLBLYGRB-LGMDPLHJSA-N | nan | None | Single Stereoisomer | SHR-1020 | |||||
Parsaclisib |
3 | Incyte Corporation | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology FDA SRS BindingDB |
nan | 0.0 | 432.1 | 3.1 | 107.9 | 7.0 | 2.0 | 5.0 | Parsaclisib (INCB050465) is a PI3Kδ inhibitor that was developed by Incyte Corporation as an antineoplastic and immunomodulatory agent, as claimed in their patent WO2014134426A1 [1]. The chemical structure is one of those claimed in patent WO2013033569A1, but it is not clear which example it is from a mixture of diastereoisomers 345-348 (although 347 and 348 had the highest inhibitory potency vs. PI3Kδ and 347 was tested in vivo [2]. |
nan | CCOc1c(cc(c(c1[C@H]2CC(=O)NC2)F)Cl)[C@H](C)n3c4c(c(n3)C)c(ncn4)N | ZQPDJCIXJHUERQ-QWRGUYRKSA-N | nan | None | Single Stereoisomer | INCB-050465 INCB050465 PARSACLISIB |
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Buparlisib |
3 | Novartis | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'SD5' | 3sd5 5m7e | 1 | 0.0 | 410.2 | 1.8 | 89.6 | 8.0 | 1.0 | 3.0 | nan | PIK3CA | Atypical | c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F | CWHUFRVAEUJCEF-UHFFFAOYSA-N | nan | None | Achiral Molecule | BKM-120 BKM-120NX BKM120-NX BUPARLISIB NVP-BKM-120 NVP-BKM120 |
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Brivanib |
3 | Bristol Myers Squibb | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 370.1 | 3.5 | 84.7 | 6.0 | 2.0 | 5.0 | nan | KDR | Tyr | Cc1cc2c([nH]1)ccc(c2F)Oc3c4c(c(cn4ncn3)OC[C@@H](C)O)C | WCWUXEGQKLTGDX-LLVKDONJSA-N | nan | None | Single Stereoisomer | BMS-540215 BRIVANIB |
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Itacitinib |
3 | Incyte Corporation | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 1.0 | 553.2 | 3.6 | 119.6 | 8.0 | 1.0 | 5.0 | nan | JAK1 | Tyr | c1cnc-2[nH]cnc(c12)c3cnn(c3)C4(CN(C4)C5CCN(CC5)C(=O)c6ccnc(c6F)C(F)(F)F)CC#N | KTBSXLIQKWEBRB-UHFFFAOYSA-N | nan | None | Achiral Molecule | INCB-039110 INCB-39110 INCB039110 ITACITINIB |
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Orantinib |
3 | Pfizer | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'SU6' | 4jlc 5yvc | 1 | 0.0 | 310.1 | 3.1 | 82.2 | 2.0 | 3.0 | 4.0 | nan | KDR PDGFRB FGFR1 |
Tyr | Cc1c(c([nH]c1/C=C\2/c3ccccc3NC2=O)C)CCC(=O)O | NHFDRBXTEDBWCZ-ZROIWOOFSA-N | nan | None | Achiral Molecule | NSC-702827 ORANTINIB SU-6668 TSU-68 |
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Pemigatinib |
Pemazyre | 4 | Incyte Corporation | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology FDA SRS BindingDB |
nan | 0.0 | 487.2 | 3.7 | 83.2 | 6.0 | 1.0 | 6.0 | On April 2020, FDA approved pemigatinib to treat certain patients with cholangiocarcinoma, a rare form of cancer that forms in bile ducts. | nan | CCN1c2c3cc([nH]c3ncc2CN(C1=O)c4c(c(cc(c4F)OC)OC)F)CN5CCOCC5 | HCDMJFOHIXMBOV-UHFFFAOYSA-N | 2020 | US-9611267-B2 | Achiral Molecule | INCB054828 PEMAZYRE PEMIGATINIB |
Y | ||||
Gefitinib |
Iressa | 4 | Astrazeneca | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'IRE' | 2ito 2ity 2itz 3ug2 4i22 4wkq 5y7z 5y80 | 1.5 | 0.0 | 446.2 | 4.3 | 68.7 | 7.0 | 1.0 | 8.0 | For the continued treatment of patients with locally advanced or metastatic non-small cell lung cancer after failure of either platinum-based or docetaxel chemotherapies. |
EGFR | Tyr | COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F | XGALLCVXEZPNRQ-UHFFFAOYSA-N | 2003 | None | Achiral Molecule | GEFITINIB IRESSA ZD-1839 ZD1839 |
Y | |
Fostamatinib |
Tavalisse | 4 | Rigel Pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'2RC' | 4o75 | nan | 2.0 | 580.1 | 3.1 | 186.7 | 12.0 | 4.0 | 10.0 | Indicated for the treatment of chronic immune thrombocytopenia (ITP) in adult patients who have had an insufficient response to a previous treatment | SYK | Tyr | CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C | GKDRMWXFWHEQQT-UHFFFAOYSA-N | 2018 | US-7449458-B2 | Achiral Molecule | FOSTAMATINIB R-788 R-788 FREE ACID R-935788 R-935788 FREE ACID R788 FREE ACID R935788 FREE ACID |
Y | |
Flumatinib |
4 | Jiangsu Hengrui Medicine | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 2.0 | 562.2 | 5.0 | 99.2 | 8.0 | 2.0 | 7.0 | nan | BCR ABL1 PDGFRB KIT |
Tyr Atypical |
Cc1c(cc(cn1)NC(=O)c2ccc(c(c2)C(F)(F)F)CN3CCN(CC3)C)Nc4nccc(n4)c5cccnc5 | BJCJYEYYYGBROF-UHFFFAOYSA-N | nan | None | Achiral Molecule | FLUMATINIB HH-GV678 HHGV-678 |
N | ||||
Pazopanib |
Votrient | 4 | GlaxoSmithKline | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
1 | 0.0 | 437.2 | 3.1 | 119.0 | 8.0 | 2.0 | 5.0 | Treatment of advanced renal cell cancer and advanced soft tissue sarcoma (in patients previously treated with chemotherapy) | FLT1 KDR FLT4 PDGFRA PDGFRB KIT FGFR3 ITK FGFR1 |
Tyr | Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C | CUIHSIWYWATEQL-UHFFFAOYSA-N | 2009 | US-7105530-B2 | Achiral Molecule | GW786034 PAZOPANIB VOTRIENT |
Y | |||
Pexidartinib |
Turalio | 4 | Daiichi Sankyo | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'P31' | 4r7h 7khg | 2 | 1.0 | 417.1 | 5.2 | 66.5 | 4.0 | 2.0 | 5.0 | On august 2019, FDA approved pexidartinib to treat adult patients with symptomatic tenosynovial giant cell tumor | FLT3 KIT CSF1R |
Tyr | c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(nc4)C(F)(F)F | JGWRKYUXBBNENE-UHFFFAOYSA-N | 2019 | US-7893075-B2 | Achiral Molecule | CML-261 PEXIDARTINIB PLX-3397 PLX3397 |
Y | |
Trametinib |
Mekinist | 4 | GlaxoSmithKline | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'QOM' | 7jur 7jux 7m0y | 3 | 1.0 | 615.1 | 3.9 | 107.1 | 8.0 | 2.0 | 5.0 | Trametinib is indicated for the treatment of unresectable or metastatic melanoma with BRAF V600E or V600K mutations, as detected by an FDA-approved test. |
BRAF MAP2K1 MAP2K2 |
TKL STE |
Cc1c2c(c(n(c1=O)C)Nc3ccc(cc3F)I)c(=O)n(c(=O)n2c4cccc(c4)NC(=O)C)C5CC5 | LIRYPHYGHXZJBZ-UHFFFAOYSA-N | 2013 | None | Achiral Molecule | GSK-1120212 GSK1120212 JTP 74057 JTP-74057 MEKINIST TMT-212 TMT212 TRAMETINIB |
Y | 293-303 |
Tepotinib |
4 | Merck | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'3E8' | 4r1v | 1 | 0.0 | 492.2 | 4.0 | 96.9 | 8.0 | 0.0 | 7.0 | On February 2021, FDA approved tepotinib to treat non-small cell lung cancer | MET | Tyr | CN1CCC(CC1)COc2cnc(nc2)c3cccc(c3)Cn4c(=O)ccc(n4)c5cccc(c5)C#N | AHYMHWXQRWRBKT-UHFFFAOYSA-N | 2021 | US-8329692-B2 | Achiral Molecule | EMD 1214063 EMD-1214063 EMD1214063 MSC-2156119 MSC-2156119J MSC2156119 TEPOTINIB |
Y | ||
Selumetinib |
4 | Astrazeneca | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'3EW' | 4u7z 7jut 7juz 7m0t | 3 | 0.0 | 456.0 | 3.5 | 88.4 | 6.0 | 3.0 | 6.0 | On April 2020 FDA approved selumetinib to treat neurofibromatosis type 1, a genetic disorder of the nervous system causing tumors to grow on nerves. | MAP2K1 MAP2K2 |
STE | Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO | CYOHGALHFOKKQC-UHFFFAOYSA-N | 2020 | US-7425637-B2 | Achiral Molecule | ARRY-142886 ARRY-886 AZD-6244 AZD6244 SELUMETINIB |
Y | ||
Selpercatinib |
Retevmo | 4 | Loxo Oncology | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology FDA SRS BindingDB |
nan | 1.0 | 525.2 | 3.3 | 112.0 | 10.0 | 1.0 | 8.0 | On May 2020 FDA approved selpercatinib to treat lung and thyroid cancers. | nan | COC1C=CC(CN2C3CN(CC2C3)C2C=CC(=CN=2)C2=CC(=CN3N=CC(C#N)=C32)OCC(C)(C)O)=CN=1 | XIIOFHFUYBLOLW-UHFFFAOYSA-N | 2020 | US-10112942-B2 | Achiral Molecule | LOXO-292 LY-3527723 LY3527723 RETEVMO SELPERCATINIB |
Y | ||||
Tivozanib |
Fotivda | 4 | Aveo Pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'AV9' | 4ase | 2 | 1.0 | 454.1 | 5.6 | 107.7 | 7.0 | 2.0 | 6.0 | On March 2021, FDA approved tivozanib to treat patients with renal cell carcinoma | FLT1 KDR FLT4 |
Tyr | Cc1cc(no1)NC(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC | SPMVMDHWKHCIDT-UHFFFAOYSA-N | 2021 | US-6821987-B2 | Achiral Molecule | ASP-4130 AV-951 FOTIVDA KIL-8951 KIL8951 KRN-951 TIVOZANIB |
Y | |
Tofacitinib |
Xeljanz | 4 | Pfizer | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'MI1' | 3eyg 3fup 3lxk 3lxn 4oti | 1 | 0.0 | 312.2 | 1.5 | 88.9 | 5.0 | 1.0 | 3.0 | For the treatment of moderate to severe rheumatoid arthritis which is resistant or intolerant to methotrexate therapy. It may also be used as an adjunct to methotrexate therapy, or other non-biologic disease-modifying antirheumatic drugs (DMARDS), when methotrexate alone is not sufficient. Tofacitinib has also been investigated as a preventative therapy for kidney transplant rejections, and as a treatment for psoriasis, ulcerative colitis, and ankylosing spondylitis. It is not to be initiated in patients with a history of chronic or recurrent infections, or in the presence of active infection, even if localized, due to reports of serious and sometimes fatal infections (commonly pneumonia, herpes zoster and urinary tract infections). Use of tofacitinib is also discouraged in those who have been, or are likely to be, exposed to TB. An increased likelihood of exposure may be encountered by traveling to certain areas. In addition, tofacitinib is not to be used in patients with severe hepatic impairment, or low hemoglobin (less than 9g/dL). Cautioned is advised when using tofacitinib in patients at risk of gastrointestinal perforation, and in the elderly who are more susceptible to infection. |
JAK1 JAK2 JAK3 TYK2 |
Tyr | C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N | UJLAWZDWDVHWOW-YPMHNXCESA-N | 2012 | US-6965027-B2 | Single Stereoisomer | 550 CP 690550 CP- 690 550 CP-690 CP-690,550 CP-690,550 FREE BASE CP-690-550 CP-690550 CP-690550 FREE BASE CP690,550 CP690550 TASOCITINIB TOFACITINIB |
Y | White crystalline solid. MP: 199-206 °C /Tofacitinib monocitrate/ |
Gilteritinib |
Xospata | 4 | Astellas Pharma | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'C6F' | 6jqr 7ab1 | nan | 1.0 | 552.4 | 2.7 | 121.1 | 10.0 | 3.0 | 9.0 | On november 28, 2018, the FDA approved gilteritinib to treat patients who have relapsed or refractory acute myeloid leukemia (AML) | FLT3 AXL ALK |
Tyr | CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5 | GYQYAJJFPNQOOW-UHFFFAOYSA-N | 2018 | US-8969336-B2 | Achiral Molecule | ASP-2215 ASP2215 GILTERITINIB |
Y | |
Trilaciclib |
4 | G1 Therapeutics | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 446.3 | 2.7 | 91.2 | 8.0 | 2.0 | 3.0 | On February 2021, FDA approved trilaciclib to mitigate chemotherapy-induced myelosuppression in adult patients with small cell lung cancer | CDK4 CDK6 |
CMGC | CN1CCN(CC1)c2ccc(nc2)Nc3ncc4cc5n(c4n3)C6(CCCCC6)CNC5=O | PDGKHKMBHVFCMG-UHFFFAOYSA-N | 2021 | US-8598186-B2;US-8598197-B2 | Achiral Molecule | G1T28 TRILACICLIB |
Y | ||||
Ponatinib |
Iclusig | 4 | Ariad Pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'0LI' | 3ik3 3oxz 3zos 4c8b 4qrc 4tyj 4u0i 4uxq 4v01 4v04 6eg9 6p3d 6tu9 | 2 | 1.0 | 532.2 | 4.5 | 65.8 | 6.0 | 1.0 | 4.0 | Ponatinib is indicated for the treatment of adult patients with chronic phase, accelerated phase, or blast phase chronic myeloid leukemia (CML) that is resistant or intolerant to prior tyrosine kinase inhibitor therapy or Philadelphia chromosome positive acute lymphoblastic leukemia (Ph+ALL) that is resistant or intolerant to prior tyrosine kinase inhibitor therapy. |
ABL1 BCR KIT RET TEK FLT3 FGFR1 FGFR2 FGFR3 FGFR4 LCK SRC LYN KDR PDGFRA |
Tyr Atypical |
Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C | PHXJVRSECIGDHY-UHFFFAOYSA-N | 2012 | US-8114874-B2 | Achiral Molecule | AP-24534 AP24534 ICLUSIG PONATINIB |
Y | |
Ibrutinib |
Imbruvica | 4 | Pharmacyclics | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'1E8' | 4ifg 4rz7 5p9i 5yu9 6l8l 6yg2 6yz4 | 1.5 | 0.0 | 440.2 | 4.2 | 99.2 | 7.0 | 1.0 | 5.0 | Ibrutinib was approved by the FDA for the treatment of mantle cell lymphoma, and later in February 2014 for the treatment of chronic lymphocytic leukemia |
BTK | Tyr | C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N | XYFPWWZEPKGCCK-GOSISDBHSA-N | 2013 | US-7514444-B2 | Single Stereoisomer | CRA-032765 IBRUTINIB IMBRUVICA PC-32765 PCI 32765 PCI-32765 PCI-32765-00 |
Y | 149-158ºC |
Lenvatinib |
Kisplyx;Lenvima | 4 | Eisai | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'LEV' | 3wzd 5zv2 | 1.5 | 0.0 | 426.1 | 4.1 | 115.6 | 5.0 | 3.0 | 6.0 | Lenvatinib is indicated for the treatment of patients with locally recurrent or metastatic, progressive, radioactive iodine-refractory differentiated thyroid cancer. |
FLT1 KDR FLT4 FGFR1 FGFR2 FGFR3 FGFR4 KIT |
Tyr | COc1cc2c(cc1C(=O)N)c(ccn2)Oc3ccc(c(c3)Cl)NC(=O)NC4CC4 | WOSKHXYHFSIKNG-UHFFFAOYSA-N | 2015 | US-7253286-B2 | Achiral Molecule | E-7080 ER-203492-00 KISPLYX LENVATINIB LENVIMA |
Y | |
Idelalisib |
Zydelig | 4 | Gilead Sciences | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'40L' | 4xe0 | 1 | 0.0 | 415.2 | 3.8 | 101.4 | 7.0 | 2.0 | 5.0 | Idelalisib is indicated in the treatment of chronic lymphocytic leukemia (CLL), relapsed follicular B-cell non-Hodgkin lymphoma (FL), and relapsed small lymphocytic lymphoma (SLL). For the treatment of relapsed CLL, it is currently indicated as a second-line agent in combination with rituximab in patients for whom rituximab alone would be considered appropriate therapy due to other co-morbidities, while in the treatment of FL and SLL it is intended to be used in patients who have received at least two prior systemic therapies. |
PIK3CD | Atypical | CC[C@@H](c1nc2cccc(c2c(=O)n1c3ccccc3)F)Nc4c5c([nH]cn5)ncn4 | IFSDAJWBUCMOAH-HNNXBMFYSA-N | 2014 | US-6800620-B2 | Single Stereoisomer | CAL-101 GS-1101 GS-11CAL-101 IDELALISIB ZYDELIG |
Y | |
Belumosudil |
4 | Surface logix | ChemSpider ChEMBL PubChem Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 452.2 | 4.8 | 104.8 | 6.0 | 3.0 | 7.0 | On July 2021, FDA approved belumosudil to treat chronic graft-versus-host disease after failure of at least two prior lines of systemic therapy | nan | CC(C)NC(=O)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)NN=C5 | GKHIVNAUVKXIIY-UHFFFAOYSA-N | 2021 | None | Achiral Molecule | KD-025 SLX-2119 |
Y | |||||
Abemaciclib |
Verzenio;Verzenios | 4 | Eli Lilly | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'6ZV' | 5l2s | 1 | 1.0 | 506.3 | 4.9 | 75.0 | 8.0 | 1.0 | 7.0 | On September 28, 2017, the Food and Drug Administration approved abemaciclib (VERZENIO, Eli Lilly and Company) in combination with fulvestrant for women with HR-positive, HER2-negative advanced or metastatic breast cancer with disease progression following endocrine therapy. In addition, abemaciclib was approved as monotherapy for women and men with HR-positive, HER2-negative advanced or metastatic breast cancer with disease progression following endocrine therapy and prior chemotherapy in the metastatic setting. |
CDK4 CDK6 |
CMGC | CCN1CCN(CC1)Cc2ccc(nc2)Nc3ncc(c(n3)c4cc5c(c(c4)F)nc(n5C(C)C)C)F | UZWDCWONPYILKI-UHFFFAOYSA-N | 2017 | US-7855211-B2 | Achiral Molecule | ABEMACICLIB LY-2835219 LY2835219 VERZENIO VERZENIOS |
Y | |
Larotrectinib |
Vitrakvi | 4 | Array BioPharma | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 428.2 | 2.9 | 86.0 | 6.0 | 2.0 | 3.0 | On november 26, 2018, the FDA approved larotrectinib to treat patients whose cancers have a specific genetic feature (biomarker) | NTRK1 NTRK2 NTRK3 |
Tyr | c1cc(c(cc1F)[C@H]2CCCN2c3ccn4c(n3)c(cn4)NC(=O)N5CC[C@@H](C5)O)F | NYNZQNWKBKUAII-KBXCAEBGSA-N | 2018 | US-8513263-B2 | Single Stereoisomer | ARRY-470 BAY-2757556 BAY2757556 LAROTRECTINIB LOXO-101 |
Y | |||
Palbociclib |
Ibrance | 4 | Pfizer | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'LQQ' | 2euf 5l2i 7n7o | 1 | 0.0 | 447.2 | 3.0 | 105.0 | 9.0 | 2.0 | 5.0 | Palbociclib is indicated in combination with letrozole for the treatment of postmenopausal women with estrogen receptor (ER)-positive, human epidermal growth factor receptor 2 (HER2)-negative advanced breast cancer as initial endocrine-based therapy for their metastatic disease. This indication is approved under accelerated approval based on progression-free survival (PFS). Continued approval for this indication may be contingent upon verification and description of clinical benefit in a confirmatory trial. |
CDK4 CDK6 |
CMGC | Cc1c2cnc(nc2n(c(=O)c1C(=O)C)C3CCCC3)Nc4ccc(cn4)N5CCNCC5 | AHJRHEGDXFFMBM-UHFFFAOYSA-N | 2015 | US-6936612-B2 | Achiral Molecule | IBRANCE PALBOCICLIB PD-0332991 |
Y | 263-266 ºC |
Osimertinib |
Tagrisso | 4 | Astrazeneca | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'YY3' | 4zau 6jwl 6jx0 6jx4 6jxt 6lud 7jxm 7jxp 7jxw 7k1h | 1 | 0.0 | 499.3 | 4.5 | 87.6 | 8.0 | 2.0 | 10.0 | Osimertinib is indicated for the treatment of patients with metastatic epidermal growth factor receptor (EGFR) T790M mutation-positive non-small cell lung cancer (NSCLC), as detected by an FDA- approved test, who have progressed on or after EGFR-TKI therapy. |
EGFR | Tyr | Cn1cc(c2c1cccc2)c3ccnc(n3)Nc4cc(c(cc4OC)N(C)CCN(C)C)NC(=O)C=C | DUYJMQONPNNFPI-UHFFFAOYSA-N | 2015 | US-8946235-B2 | Achiral Molecule | AZD-9291 AZD-9291 FREE BASE AZD9291 OSIMERTINIB TAGRISSO |
Y | |
Nintedanib |
Ofev;Vargatef | 4 | Boehringer Ingelheim | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'XIN' | 3c7q 5maf 5te0 6nec | 1 | 1.0 | 539.3 | 3.6 | 94.2 | 7.0 | 2.0 | 7.0 | Nintedanib is indicated for the treatment of idiopathic pulmonary fibrosis (IPF). | FLT1 KDR FLT4 FGFR1 FGFR2 FGFR3 FLT3 LCK LYN SRC |
Tyr | CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5 | XZXHXSATPCNXJR-ZIADKAODSA-N | 2014 | US-6762180-B1 | Achiral Molecule | BIBF 1120 BIBF-1120 BIBF1120 INTEDANIB NINTEDANIB OFEV VARGATEF |
Y | |
Nilotinib |
Tasigna | 4 | Novartis | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'NIL' | 3cs9 3gp0 5mo4 | 2 | 2.0 | 529.2 | 6.4 | 97.6 | 7.0 | 2.0 | 6.0 | For the potential treatment of various leukemias, including chronic myeloid leukemia (CML). | ABL1 KIT |
Tyr | Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F | HHZIURLSWUIHRB-UHFFFAOYSA-N | 2007 | US-7169791-B2 | Achiral Molecule | AMN 107 AMN-107 AMN107 NILOTINIB TASIGNA |
Y | |
Icotinib |
4 | Zhejiang Beta Pharma | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 391.2 | 3.2 | 74.7 | 7.0 | 1.0 | 2.0 | Icotinib hydrochloride is a novel epidermal growth factor receptor (EGFR)–tyrosine kinase inhibitor, exhibits encouraging efficacy and tolerability in patients with advanced non-small-cell lung cancer (NSCLC) who failed previous chemotherapy. |
EGFR | Tyr | C#Cc1cccc(c1)Nc2c3cc4c(cc3ncn2)OCCOCCOCCO4 | QQLKULDARVNMAL-UHFFFAOYSA-N | 2011 | None | Achiral Molecule | BPI-2009H ICOTINIB |
N | ||||
Netarsudil |
Rhopressa | 4 | Aerie Pharmaceutical | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS |
nan | 0.0 | 453.2 | 4.9 | 94.3 | 5.0 | 2.0 | 7.0 | On december 18, 2017, the FDA approved netarsudil to treat glaucoma or ocular hypertension | nan | Cc1ccc(c(c1)C)C(=O)OCc2ccc(cc2)[C@@H](CN)C(=O)Nc3ccc4cnccc4c3 | OURRXQUGYQRVML-AREMUKBSSA-N | 2017 | US-8394826-B2 | Single Stereoisomer | AR-11324 FREE BASE AR-13324 NETARSUDIL |
Y | ||||
Midostaurin |
Rydapt | 4 | Novartis Pharmaceuticals Corp | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'2K2' | 4nct | nan | 2.0 | 570.2 | 5.9 | 77.7 | 6.0 | 1.0 | 3.0 | On april 28 , 2017, the FDA approved midostaurin to treat acute myeloid leukemia | nan | C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC | BMGQWWVMWDBQGC-IIFHNQTCSA-N | 2017 | US-7973031-B2 | Single Stereoisomer | CGP 41251 CGP-41251 MIDOSTAURIN NVP-PKC412 PKC 412 PKC-412 RYDAPT |
Y | 235-260 | |
Lorlatinib |
Lorbrena | 4 | Pfizer | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'5P8' | 4cli 4clj 4uxl 5a9u 5aa8 5aa9 | 1 | 0.0 | 406.2 | 2.8 | 110.1 | 7.0 | 1.0 | 0.0 | On november 2, 2018, the FDA approved lorlatinib to treat patients with anaplastic lymphoma kinase (ALK)-positive metastatic non-small cell lung cancer |
ALK ROS1 |
Tyr | C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F | IIXWYSCJSQVBQM-LLVKDONJSA-N | 2018 | US-8680111-B2 | Single Stereoisomer | LORBRENA LORLATINIB PF-06463922 |
Y | |
Tucatinib |
Tukysa | 4 | Array BioPharma | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS |
nan | 1.0 | 480.2 | 5.1 | 110.9 | 10.0 | 2.0 | 5.0 | On April 2020, FDA approved tucatinib to treat advanced unresectable or metastatic HER2-positive breast cancer. | ERBB2 | Tyr | Cc1cc(ccc1Oc2ccn3c(c2)ncn3)Nc4c5cc(ccc5ncn4)NC6=NC(CO6)(C)C | SDEAXTCZPQIFQM-UHFFFAOYSA-N | 2020 | US-7452895-B2 | Achiral Molecule | ARRY-380 ONT-380 TUCATINIB TUKYSA |
Y | 230 | ||
Lapatinib |
Tykerb;Tyverb | 4 | GlaxoSmithKline | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'FMM' | 1xkk 3bbt | 1.5 | 2.0 | 580.1 | 6.1 | 106.4 | 8.0 | 2.0 | 11.0 | Indicated in combination with capecitabine for the treatment of patients with advanced or metastatic breast cancer whose tumors overexpress the human epidermal receptor type 2 (HER2) protein and who have received prior therapy including an anthracycline, a taxane, and trastuzuma. |
EGFR ERBB2 |
Tyr | CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F | BCFGMOOMADDAQU-UHFFFAOYSA-N | 2007 | US-7157466-B2 | Achiral Molecule | GSK-572016 GW-2016 GW-572016 GW-572016X GW572016 LAPATINIB TYVERB |
Y | |
Fasudil |
4 | Asahi Kasei Pharma Corp | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'M77' | 1q8w 2esm 2f2u 2gni 3tku 5lcp 5nw8 5o0e 5ok3 5vef 6em2 6emb 6ers 6erw 6i2a 6i2c 6yna | nan | 0.0 | 291.1 | 1.2 | 62.3 | 4.0 | 1.0 | 2.0 | Fasudil is a potent inhibitor of the Rho-kinases ROCK1 and ROCK2. | nan | c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3 | NGOGFTYYXHNFQH-UHFFFAOYSA-N | nan | None | Achiral Molecule | AT 877 AT-877 FASUDIL HA 1077 HA-1077 ZK-258594 |
N | |||
Sunitinib |
Sutent | 4 | Cp Pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'B49' | 2y7j 3g0e 3g0f 3miy 3ti1 4agd 4ks8 4qmz 6jok 6m11 6nfy 6nfz 6ng0 6v0x | 1 | 0.0 | 398.2 | 3.3 | 77.2 | 3.0 | 3.0 | 7.0 | For the treatment of advanced renal cell carcinoma as well as the treatment of gastrointestinal stromal tumor after disease progression on or intolerance to imatinib mesylate. |
PDGFRB FLT1 KIT KDR FLT4 FLT3 CSF1R PDGFRA |
Tyr | CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C | WINHZLLDWRZWRT-ATVHPVEESA-N | 2006 | US-6573293-B2 | Achiral Molecule | SU-011248 SU-11248 SU011248 SUNITINIB SUTENT |
Y | |
Imatinib |
Gleevec | 4 | Novartis | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'STI' | 1iep 1opj 1t46 1xbb 2hyy 2oiq 2pl0 3fw1 3gvu 3hec 3k5v 3ms9 3mss 3oez 3pyy 4bkj 4csv 4r7i 5mqt 6hd4 6hd6 6jol 6ktn 6npe 6npu 6npv 6vxh | 2 | 0.0 | 493.3 | 4.6 | 86.3 | 7.0 | 2.0 | 7.0 | For the treatment of Philadelphia chromosome positive chronic myeloid leukemia (Ph+ CML), Ph+ acute lymphoblastic leukaemia, myelodysplastic/myeloproliferative diseases, aggressive systemic mastocytosis, hypereosinophilic syndrome and/or chronic eosinophilic leukemia (CEL), dermatofibrosarcoma protuberans, and malignant gastrointestinal stromal tumors (GIST). |
KIT RET NTRK1 CSF1R PDGFRA DDR1 ABL1 PDGFRB |
Tyr | Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C | KTUFNOKKBVMGRW-UHFFFAOYSA-N | 2001 | US-6958335-B2 | Achiral Molecule | GLEEVEC IMATINIB STI-571 |
Y | 226°C (mesylate salt) |
Neratinib |
Nerlynx | 4 | Puma Biotechnology | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 2.0 | 556.2 | 5.9 | 112.4 | 8.0 | 2.0 | 11.0 | For use as an extended adjuvant treatment in adult patients with early stage HER2-overexpressed/amplified breast cancer, to follow adjuvant trastuzumab-based therapy |
ERBB2 EGFR |
Tyr | CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccn4 | JWNPDZNEKVCWMY-VQHVLOKHSA-N | 2017 | US-7399865-B2 | Achiral Molecule | CDP-820 HKI-272 NERATINIB WAY-179272 |
Y | |||
Umbralisib |
4 | TG Therapeutics | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 2.0 | 571.2 | 6.7 | 109.1 | 8.0 | 1.0 | 6.0 | On February 2021, FDA approved umbralisib for the treatment of certain patients with marginal zone lymphoma and follicular lymphoma | nan | C[C@@H](c1c(c(=O)c2cc(ccc2o1)F)c3cccc(c3)F)n4c5c(c(n4)c6ccc(c(c6)F)OC(C)C)c(ncn5)N | IUVCFHHAEHNCFT-INIZCTEOSA-N | 2021 | US-9150579-B2 | Single Stereoisomer | RP-5264 RP5264 TGR 1202 TGR-1202 BASE TGR-1202 FREE BASE UMBRALISIB |
Y | |||||
Zanubrutinib |
Brukinsa | 4 | BeiGene | ChemSpider ChEMBL PubChem BindingDB |
nan | 0.0 | 471.2 | 4.2 | 102.5 | 6.0 | 2.0 | 6.0 | Zanubrutinib (BGB-3111) is a potent, selective and and irreversible BTK inhibitor that is being investigated for clinical utility in the treatment of hematological cancers, such as non-Hodgkin's lymphoma and chronic lymphocytic leukemia (CLL) [1-2]. |
nan | C=CC(=O)N1CCC(CC1)C2CCNc3n2nc(c3C(=O)N)c4ccc(cc4)Oc5ccccc5 | RNOAOAWBMHREKO-UHFFFAOYSA-N | 2019 | US-9447106-B2 | Single Stereoisomer | Y | |||||
Ruxolitinib |
Jakafi;Jakavi | 4 | Incyte Corporation | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'RXT' | 4u5j 6vgl 6vnk 6wtn 7f3g | 1 | 0.0 | 306.2 | 3.5 | 83.2 | 5.0 | 1.0 | 4.0 | Treatment of intermediate or high-risk myelofibrosis, including primary myelofibrosis, post-polycythemia vera (post-PV) myelofibrosis and post-essential thrombocythemia (post-ET) myelofibrosis. [Lexicomp] Myeolofibrosis is the proliferation of abnormal bone marrow stem cells which cause fibrosis (the excessive formation of connective tissue). |
JAK1 JAK2 |
Tyr | c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4 | HFNKQEVNSGCOJV-OAHLLOKOSA-N | 2011 | US-7598257-B2 | Single Stereoisomer | INC-424 INC424 INCB-018424 INCB-18424 INCB018424 JAKAVI RUXOLITINIB |
Y | |
Copanlisib |
Aliqopa | 4 | Bayer | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'6E2' | 5g2n | 1 | 1.0 | 480.2 | 0.7 | 139.8 | 11.0 | 2.0 | 7.0 | Indicated for the treatment of adult patients with relapsed follicular lymphoma (FL) who have received at least two prior systemic therapies. | PIK3CA PIK3CB |
Atypical | COc1c(ccc2c1N=C(N3C2=NCC3)NC(=O)c4cnc(nc4)N)OCCCN5CCOCC5 | PZBCKZWLPGJMAO-UHFFFAOYSA-N | 2017 | US-7511041-B2 | Achiral Molecule | BAY 80-6946 BAY-80-6946 BAY80-6946 COPANLISIB |
Y | |
Filgotinib |
4 | Galapagos | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'2HB' | 4p7e 5ut5 | 1 | 0.0 | 425.2 | 2.0 | 96.7 | 7.0 | 1.0 | 5.0 | nan | JAK1 | Tyr | c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5 | RIJLVEAXPNLDTC-UHFFFAOYSA-N | nan | None | Single Stereoisomer | FILGOTINIB G-146034 G146034 GLPG-0634 GLPG0634 GS-6034 FREE BASE |
|||
Crizotinib |
Xalkori | 4 | Pfizer | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'VGH' | 2wgj 2xp2 2yfx 3zbf 4anq 4ans 4c9w 5aaa 5aab 5aac 6imz | 1 | 1.0 | 449.1 | 5.0 | 78.0 | 6.0 | 2.0 | 5.0 | Crizotinib is used for the treatment of locally advanced or metastatic non-small cell lung cancer (NSCLC) that is anaplastic-lymphoma kinase (ALK)-positive as detected by a FDA-approved test. |
ALK MET |
Tyr | C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4 | KTEIFNKAUNYNJU-GFCCVEGCSA-N | 2011 | US-7230098-B2 | Single Stereoisomer | CRIZOTINIB PF-02341066 PF-2341066 XALKORI |
Y | |
Bosutinib |
Bosulif | 4 | Wyeth | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'DB8' | 3soa 3ue4 4mxo 4mxx 4mxy 4mxz 4qmn 5ajq 5i9x 5vc3 5vcy 6fdy 6op9 | 1 | 2.0 | 529.2 | 5.2 | 82.9 | 8.0 | 1.0 | 9.0 | Treatment of chronic, accelerated, or blast phase Philadelphia chromosome-positive (Ph+) chronic myelogenous leukemia (CML) with resistance or intolerance to prior therapy in adult patients. |
BCR ABL1 LYN HCK SRC CDK2 MAP2K1 MAP2K2 MAP3K2 CAMK2G |
STE Atypical CAMK Tyr CMGC |
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC | UBPYILGKFZZVDX-UHFFFAOYSA-N | 2012 | US-7417148-B2 | Achiral Molecule | BOSULIF BOSUTINIB BOSUTINIB MONOHYDRATE SK-606 SKI-606 |
Y | |
Dacomitinib |
Vizimpro | 4 | Pfizer | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'1C9' | 4i23 4i24 | 1 | 1.0 | 469.2 | 5.2 | 79.4 | 6.0 | 2.0 | 7.0 | On october 27, 2018, the FDA approved dacomitinib to treat metastatic non-small-cell lung cancer | EGFR | Tyr | COc1cc2c(cc1NC(=O)/C=C/CN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F | LVXJQMNHJWSHET-AATRIKPKSA-N | 2018 | US-7772243-B2 | Achiral Molecule | DACOMITINIB DACOMITINIB HYDRATE PF-00299804 |
Y | 184-187 ºC |
Entrectinib |
Rozlytrek | 4 | Ignyta | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'YMX' | 5fto 5kvt | 1 | 2.0 | 560.3 | 5.0 | 85.5 | 6.0 | 3.0 | 7.0 | On august 2019, FDA approved entrectinib to treat adult patients with metastatic non-small cell lung cancer (NSCLC) whose tumors are ROS1-positive and to treat adult and pediatric patients 12 years of age and older with solid tumors |
NTRK1 NTRK2 NTRK3 ROS1 ALK |
Tyr | CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F | HAYYBYPASCDWEQ-UHFFFAOYSA-N | 2019 | US-8299057-B2 | Achiral Molecule | ENTRECTINIB NMS-E628 ROZLYTREK RXDX-101 |
Y | |
Encorafenib |
Braftovi | 4 | Novartis | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 1.0 | 539.2 | 3.9 | 140.1 | 9.0 | 3.0 | 9.0 | On June 27, 2018, the Food and Drug Administration approved encorafenib and binimetinib in combination patients with unresectable or metastatic melanoma with a BRAF V600E or V600K mutation, as detected by an FDA-approved test. |
BRAF | TKL | C[C@@H](CNc1nccc(n1)c2cn(nc2c3cc(cc(c3F)NS(=O)(=O)C)Cl)C(C)C)NC(=O)OC | CMJCXYNUCSMDBY-ZDUSSCGKSA-N | 2018 | US-8501758-B2 | Single Stereoisomer | BRAFTOVI ENCORAFENIB LGX-818 NVP-LGX-818-NXA NVP-LGX818 NVP-LGX818-NXA |
Y | |||
Acalabrutinib |
Calquence | 4 | Astrazeneca | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 465.2 | 3.3 | 118.5 | 7.0 | 2.0 | 4.0 | Acalabrutinib is currently indicated for the treatment of adult patients with Mantle Cell Lymphoma (MCL) who have received at least one prior therapy | BTK | Tyr | CC#CC(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5ccccn5 | WDENQIQQYWYTPO-IBGZPJMESA-N | 2017 | US-7459554-B2 | Single Stereoisomer | ACALABRUTINIB ACP-196 CALQUENCE |
Y | |||
Afatinib |
Gilotrif;Giotrif | 4 | Boehringer Ingelheim | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'0WM' | 4g5j | 1 | 0.0 | 485.2 | 4.4 | 88.6 | 7.0 | 2.0 | 8.0 | Afatinib is a kinase inhibitor indicated for the first-line treatment of patient with metastatic non-small cell lung cancer (NSCLC) whose tumours have epidermal growth factor receptor (EGFR) exon 19 deletions or exon 21 (L858R) substitution mutations as detected by an FDA-approved test. |
EGFR ERBB2 ERBB4 |
Tyr | CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F | ULXXDDBFHOBEHA-CWDCEQMOSA-N | 2013 | US-RE43431-E1 | Single Stereoisomer | AFATINIB BIBW-2992 BIBW2992 GILOTRIF GIOTRIF |
Y | |
Alectinib |
Alecensa | 4 | Hoffmann-La Roche | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'EMH' | 3aox 5xv7 | 1 | 0.0 | 482.3 | 4.8 | 72.4 | 5.0 | 1.0 | 3.0 | Alectinib is a kinase inhibitor indicated for the treatment of patients with anaplastic lymphoma kinase (ALK)-positive, metastatic non-small cell lung cancer (NSCLC) who have progressed on or are intolerant to crizotinib. This indication is approved under accelerated approval based on tumor response rate and duration of response. Continued approval for this indication may be contingent upon verification and description of clinical benefit in confirmatory trials. |
ALK | Tyr | CCc1cc2c(cc1N3CCC(CC3)N4CCOCC4)C(c5c(c6ccc(cc6[nH]5)C#N)C2=O)(C)C | KDGFLJKFZUIJMX-UHFFFAOYSA-N | 2015 | US-9126931-B2 | Achiral Molecule | AF-802 AF802 ALECENSA ALECTINIB CH-5424802 CH5424802 RO-5424802 RO5424802 |
Y | |
Duvelisib |
Copiktra | 4 | Infinity Pharmacueticals | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 416.1 | 4.5 | 88.5 | 6.0 | 2.0 | 4.0 | On october 27, 2018, the FDA approved duvelisib to treat relapsed or refractory chronic lymphocytic leukemia, small lymphocytic lymphoma and follicular lymphoma |
PIK3CD PIK3CG |
Atypical | C[C@@H](c1cc2cccc(c2c(=O)n1c3ccccc3)Cl)Nc4c5c([nH]cn5)ncn4 | SJVQHLPISAIATJ-ZDUSSCGKSA-N | 2018 | US-8193182-B2 | Single Stereoisomer | COPIKTRA DUVELISIB INK-1147 INK-1197 IPI-145 |
Y | >190 ºC | ||
Erdafitinib |
Balversa | 4 | Janssen | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'5SF' | 5ew8 | 1 | 0.0 | 446.2 | 4.2 | 77.3 | 8.0 | 1.0 | 9.0 | On april 2019, FDA approved erdafitinib to treat adult patients with locally advanced or metastatic bladder cancer | FGFR1 | Tyr | CC(C)NCCN(c1ccc2c(c1)nc(cn2)c3cnn(c3)C)c4cc(cc(c4)OC)OC | OLAHOMJCDNXHFI-UHFFFAOYSA-N | 2019 | US-8895601-B2 | Achiral Molecule | BALVERSA ERDAFITINIB JNJ-42756493 |
Y | |
Erlotinib |
Tarceva | 4 | Osi Pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'AQ4' | 1m17 4hjo 6dwn | 1.5 | 0.0 | 393.2 | 3.4 | 74.7 | 7.0 | 1.0 | 10.0 | For the treatment of patients with locally advanced or metastatic non-small cell lung cancer after failure of at least one prior chemotherapy regimen. Also for use, in combination with gemcitabine, as the first-line treatment of patients with locally advanced, unresectable or metastatic pancreatic cancer. |
EGFR NR1I2 |
(*) Tyr |
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C | AAKJLRGGTJKAMG-UHFFFAOYSA-N | 2004 | None | Achiral Molecule | CP-358,774 CP-358774 CP-35877401 ERLOTINIB OSI-774 R-1415 RG-1415 RO-508231 TARCEVA |
Y | |
Dasatinib |
Dasatinib;Sprycel | 4 | Bristol Myers Squibb | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'1N1' | 2gqg 2y6o 2zva 3g5d 3k54 3lfa 3oct 3oht 3qlg 3sxr 4qms 4xey 4xli 5bvw 5h2u 5i9y 5owr 5vcv 6bsd 6fnm | 1 | 0.0 | 487.2 | 3.3 | 106.5 | 9.0 | 3.0 | 7.0 | For the treatment of adults with chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia with resistance or intolerance to prior therapy. Also indicated for the treatment of adults with Philadelphia chromosome-positive acute lymphoblastic leukemia with resistance or intolerance to prior therapy. |
ABL1 SRC EPHA2 LCK YES1 KIT PDGFRB ABL2 FYN |
Tyr | Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl | ZBNZXTGUTAYRHI-UHFFFAOYSA-N | 2006 | US-7491725-B2 | Achiral Molecule | BMS-354825 BMS-354825 HYDRATE BMS-354825-03 DASATINIB DASATINIB HYDRATE DASATINIB MONOHYDRATE SPRYCEL |
Y | 280-286 °C |
Infigratinib |
4 | Novartis | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'07J' | 3tt0 | 1 | 2.0 | 559.2 | 5.4 | 95.1 | 8.0 | 2.0 | 8.0 | On May 2021, FDA approved infigratinib to treat adults with cholangiocarcinoma whose disease meets certain criteria | FGFR1 FGFR2 FGFR3 |
Tyr | CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl | QADPYRIHXKWUSV-UHFFFAOYSA-N | 2021 | None | Achiral Molecule | BGJ-398 BGJ398 INFIGRATINIB MVP-BGJ398 NVP-BGJ398 |
Y | ||
Anlotinib |
4 | Advenchen Laboratories | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS |
nan | 0.0 | 407.2 | 4.8 | 82.4 | 5.0 | 2.0 | 6.0 | Anlotinib (AL3818) is a non-selective inhibitor of multiple receptor tyrosine kinases, including vascular endothelial growth factor receptor type 2 (VEGFR-2, FLT1) and type 3 (VEGFR-3, FLT4). It is being investigated for antineoplastic and anti-angiogenic potential. The dihydrochloride has PubChem CID: 57380530. Preparation and crystallisation of AL3818 is described in patent WO2016179123. |
KDR FLT4 |
Tyr | Cc1cc2c([nH]1)ccc(c2F)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC | KSMZEXLVHXZPEF-UHFFFAOYSA-N | nan | NaN | NaN | N | |||||
Apatinib |
4 | Bukwang Pharmaceutical | ChemSpider PubChem Guide to Pharmacology ZINC |
nan | 1.0 | 397.2 | 5.1 | 90.7 | 5.0 | 2.0 | 5.0 | Apatinib mesylate is an orally bioavailable, small-molecule receptor tyrosine kinase inhibitor with potential antiangiogenic and antineoplastic activities. The free-base form is also known as Rivoceranib. Apatinib selectively binds to and inhibits vascular endothelial growth factor receptor 2, which may inhibit VEGF-stimulated endothelial cell migration and proliferation and decrease tumor microvessel density. In addition, this agent mildly inhibits c-Kit and c-SRC tyrosine kinases. |
KDR | Tyr | N#CC1(CCCC1)c1ccc(cc1)NC(=O)c1cccnc1Nc1cnccc1C | MGZNERAVOCFMCU-UHFFFAOYSA-N | 2014 | NaN | NaN | S-1 RIVOCERANIB CARBOPLATIN CRYOABLATION PACLITAXOL AI TAN DOCETAXEL IRINOTECAN VP-16 YN968D1,(AITAN® ATAN H20140103 NAVELBINE+AITAN AITAN APATINIB TABLETS ALBUMIN PACLITAXEL NO. ARM A PEMETREXED EGAFUR STUDY DRUG APATINIB GROUP REATMENT GROUP SHR-1210 EMOZOLOMIDE（TMZ） CAPECITABINE EMOZOLOMIDE XELOX YEW 5-FLUOROURACIL APATINIB MESYLATE APATINIB 750MG ARGET THERAPY IE CHEMOTHERAPY ESYLATE APATINIB YN968D1 SPA APATINIB 500MG PLATINU APATINIB S1 APATINIB MESYLAS APATINIBMESYLATE OXALIPLATIN |
N | ||||
Cobimetinib |
Cotellic | 4 | Hoffmann-La Roche | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'EUI' | 4an2 4lmn 7juy 7m0v | 3 | 1.0 | 531.1 | 3.8 | 64.6 | 4.0 | 3.0 | 4.0 | For the treatment of patients with unresectable or metastatic melanoma with a BRAF V600E or V600K mutation. Cobimetinib is used in combination with vemurafenib, a BRAF inhibitor. |
MAP2K1 | STE | c1c(cc(c(c1)Nc2c(c(ccc2C(=O)N3C[C@@](C3)(O)[C@H]4NCCCC4)F)F)F)I | BSMCAPRUBJMWDF-KRWDZBQOSA-N | 2015 | US-7803839-B2 | Single Stereoisomer | COBIMETINIB COTELLIC GDC-0623 GDC-0973 RG 7420 RG-7420 RG-7421 RG7420 XL-518 |
Y | |
Ceritinib |
Zykadia | 4 | Novartis | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'4MK' | 4mkc | 1 | 2.0 | 557.2 | 6.4 | 105.2 | 8.0 | 3.0 | 9.0 | Ceritinib is a kinase inhibitor indicated for the treatment of patients with anaplastic lymphoma kinase (ALK)-positive metastatic non-small cell lung cancer (NSCLC) who have progressed on or are intolerant to crizotinib. This indication is approved under accelerated approval based on tumor response rate and duration of response. An improvement in survival or disease-related symptoms has not been established. Continued approval for this indication may be contingent upon verification and description of clinical benefit in confirmatory trials. |
ALK | Tyr | Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl | VERWOWGGCGHDQE-UHFFFAOYSA-N | 2014 | US-7153964-B2 | Achiral Molecule | CERITINIB LDK-378 LDK378 NVP-LDK-378-NX NVP-LDK378-NX ZYKADIA |
Y | |
Vandetanib |
Caprelsa;Zactima | 4 | Ipr Pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'ZD6' | 2ivu | 1.5 | 1.0 | 474.1 | 5.0 | 59.5 | 6.0 | 1.0 | 6.0 | Vandetanib is currently approved as an alternative to local therapies for both unresectable and disseminated disease. Because Vandetanib can prolong the Q-T interval, it is contraindicated for use in patients with serious cardiac complications such as congenital long QT syndrome and uncompensated heart failure. |
VEGFA EGFR PTK6 TEK RET |
(*) Tyr |
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br | UHTHHESEBZOYNR-UHFFFAOYSA-N | 2011 | US-7173038-B1 | Achiral Molecule | CAPRELSA GNF-PF-2188 VANDETANIB ZACTIMA ZD-64 ZD-6474 ZD6474 |
Y | |
Ripretinib |
Qinlock | 4 | Deciphera Pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology FDA SRS |
nan | 2.0 | 509.1 | 5.7 | 88.0 | 5.0 | 3.0 | 5.0 | Ripretinib (DCC-2618) is an orally bioavailable, potent pan-KIT and PDGFRα kinase inhibitor being developed by Dicephera Pharmaceuticals. It is in clinical development for the treatment of malignancies that are driven by KIT and/or PDGFRα, for example gastrointestinal stromal tumors, glioblastoma multiforme and systemic mastocytosis. Ripretinib has activity across a broad range of resistance mutations in its target kinases, that emerge in response to imatinib treatment. Ripretinib binds to the 'switch pocket' of KIT, a domain that regulates the enzyme's catalytic conformation. Compounds that act in this way are often referred to as switch control inhibitors. |
nan | CCn1c2cc(ncc2cc(c1=O)c3cc(c(cc3Br)F)NC(=O)Nc4ccccc4)NC | CEFJVGZHQAGLHS-UHFFFAOYSA-N | 2020 | US-8188113-B2 | Achiral Molecule | DCC-2618 QINLOCK RIPRETINIB |
Y | ||||
Vemurafenib |
Zelboraf | 4 | Hoffmann-La Roche | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'032' | 3og7 4rzv 5hes | 1.5 | 1.0 | 489.1 | 5.5 | 91.9 | 4.0 | 2.0 | 7.0 | Vemurafenib is approved since 2011 for the treatment of metastatic melanoma with a mutation on BRAF in the valine located in the exon 15 at codon 600, this mutation is denominated as V600E. |
BRAF | TKL | CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)F | GPXBXXGIAQBQNI-UHFFFAOYSA-N | 2011 | US-7504509-B2 | Achiral Molecule | PLX-4032 PLX4032 RG 7204 RG-7204 RO 5185426 RO-51-85426 RO-5185426 VEMURAFENIB ZELBORAF |
Y | 272°C |
Ribociclib |
Kisqali | 4 | Novartis | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'6ZZ' | 5l2t | 1 | 0.0 | 434.3 | 2.8 | 91.2 | 8.0 | 2.0 | 5.0 | Kisqali (ribociclib) is a selective cyclin-dependent kinase inhibitor, a class of drugs that help slow the progression of cancer by inhibiting two proteins called cyclin-dependent kinase 4 and 6 (CDK4/6). These proteins, when over-activated, can enable cancer cells to grow and divide too quickly. Targeting CDK4/6 with enhanced precision may play a role in ensuring that cancer cells do not continue to replicate uncontrollably. |
CDK4 CDK6 |
CMGC | CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5 | RHXHGRAEPCAFML-UHFFFAOYSA-N | 2017 | US-8324225-B2 | Achiral Molecule | LEE-011 LEE-011A LEE011 LEE011A NVP-LEE011 RIBOCICLIB |
Y | |
Regorafenib |
Stivarga | 4 | Bayer | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
2 | 1.0 | 482.1 | 5.7 | 92.3 | 4.0 | 3.0 | 5.0 | Regorafenib is indicated for the treatment of patients with metastatic colorectal cancer (CRC) who have been previously treated with fluoropyrimidine-, oxaliplatin- and irinotecan-based chemotherapy, an anti-VEGF therapy, and, if KRAS wild type, an anti-EGFR therapy. Regorafenib is also indicated for the treatment of patients with locally advanced, unresectable or metastatic gastrointestinal stromal tumor (GIST) who have been previously treated with imatinib mesylate and sunitinib malate. |
FLT1 KDR FLT4 KIT PDGFRA PDGFRB FGFR1 FGFR2 TEK DDR2 NTRK1 EPHA2 RAF1 BRAF MAPK11 FRK ABL1 RET |
Tyr TKL CMGC |
CNC(=O)c1cc(ccn1)Oc2ccc(c(c2)F)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl | FNHKPVJBJVTLMP-UHFFFAOYSA-N | 2012 | US-7351834-B1 | Achiral Molecule | BAY 73-4506 BAY 73-4506 MONOHYDRATE BAY-73-4506 BAY-734506 REGORAFENIB STIVARGA |
Y | |||
Pralsetinib |
Gavreto | 4 | Blueprint Medicines | ChemSpider ChEMBL DrugBank RCSB PDBe FDA SRS |
'Q4J' | 7ju5 | nan | 1.0 | 533.3 | 4.2 | 135.5 | 9.0 | 3.0 | 8.0 | Pralsetinib, also known as BLU-667, is a highly potent, selective, next generation RET inhibitor. BLU-667 is a potent and selective inhibitor of RET mutations, fusions, and predicted resistant mutants. RET fusions are key drivers of multiple cancers, including lung and thyroid cancer, and our research suggests that RET also plays a key role in some colon and breast cancers. By simultaneously targeting the primary driver and predicted resistant mutants that render cancer cells insensitive to treatment with currently approved drugs |
nan | Cc1[nH]nc(c1)Nc2nc(nc(c2)C)[C@H]3CC[C@@](CC3)(OC)C(=O)N[C@H](c4cnc(cc4)n5ncc(c5)F)C | GBLBJPZSROAGMF-BATDWUPUSA-N | 2020 | US-10030005-B2 | Single Stereoisomer | RG6396 BLU-123244 X-581238 BLU123244 BLU-667 RO7499790 GAVRETO GAVRETO (US X581238 |
Y | ||
Fedratinib |
Inrebic | 4 | Sanofi | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'2TA' | 4ogj 4ps5 6vne | nan | 1.0 | 524.3 | 4.8 | 108.5 | 8.0 | 3.0 | 10.0 | On august 2019, FDA approved fedratinib to treat adult patients with intermediate-2 or high-risk primary or secondary myelofibrosis | JAK2 FLT3 BRD4 |
(*) Tyr |
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4 | JOOXLOJCABQBSG-UHFFFAOYSA-N | 2019 | US-7528143-B2 | Achiral Molecule | FEDRATINIB SAR-302503 SAR302503 TG-101348 TG101348 |
Y | |
Upadacitinib |
Rinvoq | 4 | Abbvie | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS |
nan | 0.0 | 380.2 | 2.9 | 78.3 | 4.0 | 2.0 | 3.0 | On august 2019, FDA approved fedratinib to treat adults with moderately to severely active rheumatoid arthritis | JAK1 | Tyr | CC[C@@H]1CN(C[C@@H]1c2cnc3n2c4cc[nH]c4nc3)C(=O)NCC(F)(F)F | WYQFJHHDOKWSHR-MNOVXSKESA-N | 2019 | US-8962629-B2 | Single Stereoisomer | ABT-494 RINVOQ UPADACITINIB |
Y | 16-19 | ||
Sorafenib |
Nexavar | 4 | Bayer | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'BAX' | 1uwh 1uwj 3gcs 3heg 3rgf 3wze 4asd 5hi2 | 2 | 1.0 | 464.1 | 5.5 | 92.3 | 4.0 | 3.0 | 5.0 | Sorafenib is indicated for the treatment of unresectable hepatocellular carcinoma and advanced renal cell carcinoma. | BRAF RAF1 FLT4 KDR FLT3 PDGFRB KIT FGFR1 RET FLT1 |
Tyr TKL |
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl | MLDQJTXFUGDVEO-UHFFFAOYSA-N | 2005 | US-8618141-B2 | Achiral Molecule | BAY 43-9006 BAY-43-9006 NEXAVAR SORAFENIB |
Y | 205.6 °C |
Dabrafenib |
Tafinlar | 4 | GlaxoSmithKline | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'P06' | 4xv2 5csw 5hie 6hj2 6v2u 7riv | 1.5 | 2.0 | 519.1 | 5.4 | 110.9 | 7.0 | 2.0 | 5.0 | Dabrafenib is indicated for the treatment of patients with unresectable or metastatic melanoma with BRAF V600E mutation as detected by an FDA-approved test. |
BRAF RAF1 SIK1 NEK11 LIMK1 |
NEK TKL CAMK |
CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F | BFSMGDJOXZAERB-UHFFFAOYSA-N | 2013 | US-7994185-B2 | Achiral Molecule | DABRAFENIB GSK-2118436 GSK-2118436A GSK2118436 GSK2118436A TAFINLAR |
Y | |
Brigatinib |
Alunbrig | 4 | Ariad Pharmaceuticals | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe ZINC FDA SRS BindingDB |
'6GY' | 6mx8 7aem | 1 | 2.0 | 583.3 | 5.1 | 85.9 | 9.0 | 2.0 | 8.0 | The anaplastic lymphoma kinase positive, metastatic non-small cell lung cancer (ALK+ NSCLC), represents only 3-5% of the NSCLC cancer cases, but the ALK mutation, overexpression and presence in several oncogenic fusion proteins in solid and hematologic tumors have pointed out the importance as well as its potential as a cancer therapy target. The ALK-related cases of NSCLC are associated with the presence of the fusion gene EML4-ALK which fused the ALK protein with the echinoderm microtubule-associated protein like-4 whose original function is the correct formation of microtubules. The presence of the aberrant fusion protein results in abnormal signaling that provokes increased cell growth, proliferation and survival. Crizotinib is indicated for the treatment of such cases but the presence of ALK kinase domain mutations confer resistance to the treatment. Thus, brigatinib is indicated for the treatment of patients with ALK+ NSCLC with intolerance to Crizotinib. |
ALK EGFR |
Tyr | CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl | AILRADAXUVEEIR-UHFFFAOYSA-N | 2017 | US-9012462-B2 | Achiral Molecule | ALUNBRIG AP-26113 AP26113 BRIGATINIB |
Y | |
Binimetinib |
Mektovi | 4 | Novartis | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS |
'QO7' | 7m0u | nan | 0.0 | 440.0 | 3.0 | 88.4 | 6.0 | 3.0 | 6.0 | On June 27, 2018, the Food and Drug Administration approved encorafenib and binimetinib in combination patients with unresectable or metastatic melanoma with a BRAF V600E or V600K mutation, as detected by an FDA-approved test. |
MAP2K1 | STE | Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3F)Br)C(=O)NOCCO | ACWZRVQXLIRSDF-UHFFFAOYSA-N | 2018 | US-7777050-B2 | Achiral Molecule | ARRY 438162 ARRY-162 ARRY-438162 BINIMETINIB MEK-162 MEK162 MEKTOVI NVP-MEK162 |
Y | |
Baricitinib |
Olumiant | 4 | Eli Lilly | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'3JW' | 4w9x 6vn8 6wto | 1 | 0.0 | 371.1 | 1.1 | 120.6 | 7.0 | 1.0 | 5.0 | Indicated for the treatment of moderate to severe active rheumatoid arthritis in adult patients who have responded inadequately to, or who are intolerant to one or more disease-modifying anti-rheumatic drugs as monotherapy or in combination with methotrexate. |
JAK1 JAK2 |
Tyr | CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4ncn3 | XUZMWHLSFXCVMG-UHFFFAOYSA-N | 2017 | US-8158616-B2 | Achiral Molecule | BARICITINIB INCB-028050 INCB-28050 INCB028050 LY-3009104 LY3009104 OLUMIANT |
Y | |
Cabozantinib |
Cabometyx;Cometriq | 4 | Exelixis | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
2 | 2.0 | 501.2 | 5.5 | 98.8 | 6.0 | 2.0 | 8.0 | For the treatment of metastatic medullary thyroid cancer and for the treatment of patients with advanced renal cell carcinoma (RCC) who have received prior anti-angiogenic therapy. |
MET KDR RET |
Tyr | COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F | ONIQOQHATWINJY-UHFFFAOYSA-N | 2012 | US-7579473-B2 | Achiral Molecule | BMS-907351 BMS-907351 FREE BASE CABOMETYX CABOZANTINIB COMETRIQ XL-184 XL-184 FREE BASE XL184 |
Y | |||
Capmatinib |
4 | Novartis | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology ZINC FDA SRS BindingDB |
nan | 0.0 | 412.1 | 3.4 | 85.1 | 6.0 | 1.0 | 4.0 | On may 2020 FDA approved capmatinib to treat patients with non small cell lung cancer | MET | Tyr | CNC(=O)c1ccc(cc1F)c2cnc3ncc(n3n2)Cc4ccc5c(c4)cccn5 | LIOLIMKSCNQPLV-UHFFFAOYSA-N | 2020 | US-7767675-B2 | Achiral Molecule | CAPMATINIB INC-280 INC280 INCB-28060 INCB-28060 FREE BASE NVP-INC280 NVP-INC280-NX NYP-INC280-NX |
Y | ||||
Avapritinib |
Ayvakit | 4 | Blueprint Medicines | ChemSpider ChEMBL PubChem DrugBank Guide to Pharmacology FDA SRS BindingDB |
nan | 0.0 | 498.2 | 2.6 | 106.3 | 10.0 | 1.0 | 5.0 | On January 2020 FDA approved avapritinib to treat adults with unresectable or metastatic gastrointestinal stromal tumor (GIST) | nan | C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(cn5ncn4)c6cnn(c6)C)N | DWYRIWUZIJHQKQ-SANMLTNESA-N | 2020 | US-9200002-B2 | Single Stereoisomer | 70C366 AVAPRITINIB AYVAKIT BLU-285 C-366 X-720776 X720776 |
Y | ||||
Alpelisib |
Piqray | 4 | Novartis | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'1LT' | 4jps | nan | 0.0 | 441.1 | 3.8 | 101.2 | 5.0 | 2.0 | 4.0 | On may 2019, FDA approved alpelisib to treat breast cancer | PIK3CA | Atypical | Cc1c(sc(n1)NC(=O)N2CCC[C@H]2C(=O)N)c3ccnc(c3)C(C)(C)C(F)(F)F | STUWGJZDJHPWGZ-LBPRGKRZSA-N | 2019 | US-8227462-B2 | Single Stereoisomer | ALPELISIB BYL-719 BYL719 NVP-BYL719 PIQRAY |
Y | |
Axitinib |
Inlyta | 4 | Pfizer | ChemSpider ChEMBL PubChem DrugBank RCSB PDBe Guide to Pharmacology ZINC FDA SRS BindingDB |
'AXI' | 4ag8 4agc 4twp 4wa9 | 2 | 0.0 | 386.1 | 4.6 | 70.7 | 4.0 | 2.0 | 5.0 | Used in kidney cell cancer and investigated for use/treatment in pancreatic and thyroid cancer. | FLT1 KDR FLT4 |
Tyr | CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4 | RITAVMQDGBJQJZ-FMIVXFBMSA-N | 2012 | US-6534524-B1 | Achiral Molecule | AG-013736 AG-13736 AXITINIB INLYTA |
Y |
(*) indicates that the target is not a kinase