PKIDB: A Curated, Annotated and Updated Database of Protein Kinase Inhibitors in Clinical Trials funded by Région Centre Val de Loire

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/molecules23040908
Bournez, 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: 2020-10-22

Last approved inhibitors: Pralsetinib

New inhibitors this month: Repotrectinib

Links to KinoMine data: Bioactivities, 3D structures and binding mode

Download sdf file: pkidb_2020-10-22.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
Repotrectinib
0 TP Therapeutics ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
FDA SRS
NaN 0.0 355.1 2.6 80.6 6.0 2.0 0.0 nan (*) Smiles=CC1CNC(=O)C2=C3N=C(C=CN3N=C2)NC(C4=C(O1)C=CC(=C4)F)C
InChiKey=FIKPXCOQUIZNHB-WDEREUQCSA-N
NaN None Single Stereoisomer REPOTRECTINIB
TRX-0005
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 Smiles=CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(c2ncnc3c2cc[nH]3)C
InChiKey=HJWLJNBZVZDLAQ-HAQNSBGRSA-N
nan None Single Stereoisomer JAKI
OCLACITINIB
PF-03394197
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 Smiles=Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)/C=C\3/c4cc(ccc4NC3=O)F
InChiKey=SRSGVKWWVXWSJT-ATVHPVEESA-N
nan None Achiral Molecule PHA-291639
TOCERANIB
Dezapelisib
0 Incyte Corporation ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
nan 0.0 421.1 3.7 100.9 8.0 2.0 4.0 nan nan Smiles=Cc1csc2n1c(=O)c(c(n2)[C@H](C)Nc3c4c([nH]cn4)ncn3)c5cccc(c5)F
InChiKey=RSIWALKZYXPAGW-NSHDSACASA-N
nan None Single Stereoisomer DEZAPELISIB
INCB040093
Delgocitinib
1 Japan Tobacco ChemSpider
ChEMBL
PubChem
BindingDB
nan 0.0 310.2 1.3 88.9 5.0 1.0 2.0 nan nan Smiles=CC1CN(C12CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N
InChiKey=LOWWYYZBZNSPDT-UHFFFAOYSA-N
nan None Single Stereoisomer
Allitinib
1 Allist Pharmaceuticals ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
nan 1.0 448.1 5.9 76.1 5.0 2.0 7.0 nan ERBB2
EGFR
Tyr Smiles=C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)OCc4cccc(c4)F
InChiKey=MVZGYPSXNDCANY-UHFFFAOYSA-N
nan None Single Stereoisomer ALL-3
AST-1306
Peposertib
1 Merck ChemSpider
ChEMBL
PubChem
ZINC
FDA SRS
BindingDB
nan 0.0 334.2 1.3 114.7 8.0 2.0 8.0 nan nan Smiles=COCCOc1c(cc(cc1OC)Cc2cnc(nc2N)N)OC
InChiKey=WSWJIZXMAUYHOE-UHFFFAOYSA-N
nan NaN NaN TETROXOPRIM 154.0 °C
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 Smiles=COc1c(cc(cn1)c2ccc3c(c2)c(ccn3)c4ccnnc4)NS(=O)(=O)c5ccc(cc5F)F
InChiKey=CGBJSGAELGCMKE-UHFFFAOYSA-N
nan None Achiral Molecule GSK-2126458
GSK2126458
OMIPALISIB
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 Smiles=c1cc2c(cc1C(F)(F)F)[nH]c(n2)[C@H]3[C@H]4[C@@H]3Oc5c4cc(cc5)Oc6ccnc7c6CCC(=O)N7
InChiKey=NGFFVZQXSRKHBM-FKBYEOEOSA-N
nan None Single Stereoisomer BGB 283
BGB-283
LIFIRAFENIB
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 Smiles=Cn1c(ccn1)Nc2nccc(n2)c3ccn(c(=O)c3)[C@H](CO)c4ccc(c(c4)F)Cl
InChiKey=RZUOCXOYPYGSKL-GOSISDBHSA-N
nan None Single Stereoisomer GDC-0994
GDC0994
RAVOXERTINIB
RG-7842
Recilisib
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 Smiles=c1cc(ccc1CS(=O)(=O)/C=C/c2ccc(cc2)C(=O)O)Cl
InChiKey=KBEKQQJUNVQLDZ-MDZDMXLPSA-N
nan None Achiral Molecule EX-RAD
ON 01210
ON 01210.NA
ON-01210
RECILISIB
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 Smiles=c1cc(ccc1NC(=O)C2(CC2)C(=O)Nc3cc(c(cc3F)Oc4ccnc(c4)NC(=O)C5CC5)F)F
InChiKey=GNNDEPIMDAZHRQ-UHFFFAOYSA-N
nan None Achiral Molecule ALTIRATINIB
DCC-2701
DP-5164
Branebrutinib
1 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 Smiles=CC#CC(=O)N[C@H]1CCCN(C1)c2c(cc(c3c2c(c([nH]3)C)C)C(=O)N)F
InChiKey=VJPPLCNBDLZIFG-ZDUSSCGKSA-N
nan None Single Stereoisomer BMS-986195
BRANEBRUTINIB
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 Smiles=c1cc(ccc1CCCCn2ccnn2)OCc3coc(n3)/C=C/c4ccc(cc4)C(F)(F)F
InChiKey=ZTFBIUXIQYRUNT-MDWZMJQESA-N
nan None Achiral Molecule MUBRITINIB
TAK-165
Selatinib
1 Qilu Pharmaceutical ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
BindingDB
nan 2.0 564.1 6.5 89.3 7.0 2.0 11.0 nan EGFR
ERBB2
Tyr Smiles=CS(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F
InChiKey=OAMVGUFHZPRXOM-UHFFFAOYSA-N
nan NaN NaN
Rivoceranib
1 Advenchen Laboratories ChemSpider
ChEMBL
PubChem
FDA SRS
BindingDB
nan 0.0 493.2 4.2 145.1 7.0 3.0 6.0 Rivoceranib Mesylate is a novel selective inhibitor of vascular endothelial growth factor receptor 2 (vegfr2) nan Smiles=CS(=O)(=O)O.c1cc(c(nc1)NCc2ccncc2)C(=O)Nc3ccc(cc3)C4(CCCC4)C#N
InChiKey=FYJROXRIVQPKRY-UHFFFAOYSA-N
nan NaN NaN AITAN
APATINIB (REGISTERED NAME IN CHINA)
APATINIB MESYLATE
RIVOCERANIB MESYLATE
YN-968D1
Nedisertib
1 Merck ChemSpider
PubChem
BindingDB
nan 0.0 481.1 3.8 93.5 8.0 1.0 5.0 nan nan Smiles=COc1ccc(nn1)C(c2cc(c(cc2Cl)F)c3c4ccc(cc4ncn3)N5CCOCC5)O
InChiKey=MOWXJLUYGFNTAL-UHFFFAOYSA-N
nan None Single Stereoisomer
M-3814
MSC-2490484A
MSC 2490484A
M3814
MSC2490484A
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
Smiles=Cn1ccnc1Sc2ccc(cc2Cl)Nc3c4cc(c(cc4ncc3C#N)N5CCC(CC5)N6CCCC6)OC
InChiKey=CVAKNHIXTWLGJO-UHFFFAOYSA-N
nan None Achiral Molecule BALAMAPIMOD
MKI-833
Empesertib
1 Bayer ChemSpider
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 Smiles=C[C@H](c1ccc(cc1)F)C(=O)Nc2ccc(cc2)c3ccc4nc(nn4c3)Nc5ccc(cc5OC)S(=O)(=O)C
InChiKey=NRJKIOCCERLIDG-GOSISDBHSA-N
nan None Single Stereoisomer
BAY 1161909
MPS1-IN-5
(-)-BAY-1161909
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 Smiles=CC(C)(C#N)c1ccc(cn1)n2c3c4cc(ccc4ncc3n(c2=NC#N)C)c5cc(c(nc5)N)C(F)(F)F
InChiKey=VJLRLTSXTLICIR-UHFFFAOYSA-N
nan None Single Stereoisomer
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 Smiles=CN1C/C=C/CCOc2cccc(c2)-c3ccnc(n3)Nc4cccc(c4)C1
InChiKey=VXBAJLGYBMTJCY-NSCUHMNNSA-N
nan None Single Stereoisomer EX45
SB-1317
SB1317
TG-02
TG02
ZOTIRACICLIB
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 Smiles=CCN(CC)CCNC(=O)c1c([nH]c\2c1CCC/C2=C/3\c4cc(ccc4NC3=O)F)C
InChiKey=KGSRYTUWXUESJK-FXBPSFAMSA-N
nan None Achiral Molecule SIM 010603
SIM-010603
TAFETINIB
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 Smiles=CC(C)(c1cc(no1)NC(=O)Nc2cccc(c2)Oc3c4cc(c(cc4ncn3)OC)OC)C(F)(F)F
InChiKey=DKNUPRMJNUQNHR-UHFFFAOYSA-N
nan None Achiral Molecule AB-024
AC-013773
AGERAFENIB
CEP-32496
RXDX 105
RXDX-105
Pexmetinib
1 Array BioPharma ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
nan 2.0 556.3 6.1 106.2 7.0 3.0 8.0 nan MAPK14
TEK
CMGC
Tyr
Smiles=Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCc3cc(ccc3Oc4ccc5c(c4)cnn5CCO)F
InChiKey=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 Smiles=Cc1cc(ccc1N2CCN(CC2)C)Nc3ncc(c(n3)N[C@@H]4[C@@H]5C[C@H]([C@@H]4C(=O)N)C=C5)F
InChiKey=KSOVGRCOLZZTPF-QMKUDKLTSA-N
nan None Racemic Mixture AS-703569
R-763
Vorolanib
1 Tyrogenex ChemSpider
ChEMBL
PubChem
DrugBank
FDA SRS
nan 0.0 439.2 2.7 97.5 3.0 3.0 3.0 nan nan Smiles=Cc1c([nH]c(c1C(=O)N[C@H]2CCN(C2)C(=O)N(C)C)C)/C=C\3/c4cc(ccc4NC3=O)F
InChiKey=KMIOJWCYOHBUJS-HAKPAVFJSA-N
nan None Single Stereoisomer VOROLANIB
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 Smiles=Cc1c([nH]c2c1C(=O)N(CCC2)C[C@@H](CN3CCOCC3)O)/C=C\4/c5cc(ccc5NC4=O)F
InChiKey=MCTXSDCWFQAGFS-UEXNTNOUSA-N
nan None Single Stereoisomer
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 Smiles=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
InChiKey=QLRRJMOBVVGXEJ-XHSDSOJGSA-N
nan None Single Stereoisomer BIIB-062
BSK-4841
FP-0182
FP0182
SNS-062
VECABRUTINIB
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 Smiles=CN1CC[C@H]2[C@@H]1CN(C2)C(=O)Nc3cc4c(cc3OC)ncnc4Nc5cccc(c5)C#C
InChiKey=FSXCKIBROURMFT-VGSWGCGISA-N
nan None Single Stereoisomer
Selitrectinib
1.5 Bayer ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
FDA SRS
nan 0.0 380.2 2.7 75.4 6.0 1.0 0.0 nan nan Smiles=C[C@@H]1CCc2c(cc(cn2)F)[C@H]3CCCN3c4ccn5c(n4)c(cn5)C(=O)N1
InChiKey=OEBIHOVSAMBXIB-SJKOYZFVSA-N
nan None Single Stereoisomer LOXO-195
SELITRECTINIB
Lerociclib
1.5 G1 Therapeutics ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
FDA SRS
BindingDB
nan 0.0 474.3 3.5 91.2 8.0 2.0 4.0 nan nan Smiles=CC(C)N1CCN(CC1)c2ccc(nc2)Nc3ncc4cc5n(c4n3)C6(CCCCC6)CNC5=O
InChiKey=YPJRHEKCFKOVRT-UHFFFAOYSA-N
nan None Achiral Molecule G1T38
G1T38 FREE BASE
LEROCICLIB
Vactosertib
1.5 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 Smiles=Cc1cccc(n1)c2c(nc([nH]2)CNc3ccccc3F)c4ccc5ncnn5c4
InChiKey=FJCDSQATIJKQKA-UHFFFAOYSA-N
nan None Achiral Molecule TEW 7197
TEW-7197
VACTOSERTIB
Ningetinib
1.5 HEC Pharm ChemSpider
ChEMBL
PubChem
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 Smiles=Cc1c(c(=O)n(n1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4ccc(c5)OCC(C)(C)O
InChiKey=VQYYQSZNRVQLIS-UHFFFAOYSA-N
nan NaN NaN
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 Smiles=CN1CCN(CC1)Cc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)N(C)C)Cl
InChiKey=YUAALFPUEOYPNX-UHFFFAOYSA-N
nan None Achiral Molecule DUBERMATINIB
TP 0903
TP-0903
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 Smiles=CC[C@](C)(C(=O)NCC(F)(F)F)Nc1ccnc(n1)c2c[nH]c3c2cccn3
InChiKey=ASUGUQWIHMTFJL-QGZVFWFLSA-N
nan None Single Stereoisomer ADELATINIB
DECERNOTINIB
VRT-831509
VX-509
Verosudil
2 Aerie Pharmaceutical ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
nan 0.0 327.1 2.8 65.2 4.0 2.0 4.0 nan nan Smiles=CN(C)C(c1ccsc1)C(=O)Nc2ccc3c(c2)cc[nH]c3=O
InChiKey=VDYRZXYYQMMFJW-UHFFFAOYSA-N
nan None Racemic Mixture AR-12286
AR-12286 FREE BASE
VEROSUDIL
Fenebrutinib
2 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 Smiles=C[C@H]1CN(CCN1c2ccc(nc2)Nc3cc(cn(c3=O)C)c4ccnc(c4CO)N5CCn6c(cc7c6CC(C7)(C)C)C5=O)C8COC8
InChiKey=WNEODWDFDXWOLU-QHCPKHFHSA-N
nan None Single Stereoisomer FENEBRUTINIB
G-02599853
G02599853
GDC-0853
RG-7845
RG7845
RO-7010939
RO7010939
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 Smiles=Cn1cc(cn1)Nc2nccc(n2)N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F)F
InChiKey=BUWBRTXGQRBBHG-MJBXVCDLSA-N
nan None Single Stereoisomer BREPOCITINIB
PF-06700841
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 Smiles=CC1(CN(C1)C(=O)c2ccc(cc2)c3cccc4n3nc(n4)NC(=O)C5CC5)C
InChiKey=MPYACSQFXVMWNO-UHFFFAOYSA-N
nan None Achiral Molecule G154578
GLPG-0778
GLPG-0788
GLPG0778
GSK-2586184
GSK-2586184A
GSK2586184A
SOLCITINIB
Seletalisib
2 UCB ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
nan 1.0 482.1 5.2 90.5 6.0 1.0 4.0 nan nan Smiles=c1cc2cc(c(nc2c(c1)Cl)c3ccc[n+](c3)[O-])[C@H](C(F)(F)F)Nc4c5c(cccn5)ncn4
InChiKey=LNLJHGXOFYUARS-OAQYLSRUSA-N
nan None Single Stereoisomer SELETALISIB
UCB-5857
UCB5857
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 Smiles=CC1(CCC(=CC1)c2c(ccc(n2)C3CC(OC(C3)(C)C)(C)C)NC(=O)c4[nH]c(cn4)C#N)C
InChiKey=BNVPFDRNGHMRJS-UHFFFAOYSA-N
nan None Achiral Molecule EDICOTINIB
JNJ-40346527
Simurosertib
2 Takeda ChemSpider
PubChem
nan 0.0 341.1 2.8 77.7 5.0 2.0 2.0 nan nan Smiles=Cc1c(c[nH]n1)c2cc3c(s2)c(=O)[nH]c(n3)C4CC5CCN4CC5
InChiKey=XGVXKJKTISMIOW-UHFFFAOYSA-N
nan None Single Stereoisomer
TAK-931
Mavelertinib
2 Pfizer ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
nan 0.0 415.2 0.7 115.0 10.0 2.0 6.0 nan nan Smiles=Cn1cc(c(n1)OC)Nc2c3c(nc(n2)N4C[C@H]([C@@H](C4)F)NC(=O)C=C)n(cn3)C
InChiKey=JYIUNVOCEFIUIU-GHMZBOCLSA-N
nan None Single Stereoisomer MAVELERTINIB
PF-06747775
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 Smiles=Cc1c(sc2c1nc(nc2N3CCOCC3)c4cnc(nc4)N)CN5CCN(CC5)C(=O)[C@H](C)O
InChiKey=YOVVNQKCSKSHKT-HNNXBMFYSA-N
nan None Single Stereoisomer APITOLISIB
G-038390
G-038390.1
GDC-0980
GDC-0980.1
RG-7422
RG7422
Pelitinib
2 Wyeth ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'93J' 5vcw 1 1.0 467.2 5.1 90.3 6.0 2.0 8.0 nan EGFR
ERBB2
Tyr Smiles=CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
InChiKey=WVUNYSQLFKLYNI-AATRIKPKSA-N
nan None Achiral Molecule EKB-569
PELITINIB
WAY-EKB-569
Trilaciclib
2 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 nan CDK4
CDK6
CMGC Smiles=CN1CCN(CC1)c2ccc(nc2)Nc3ncc4cc5n(c4n3)C6(CCCCC6)CNC5=O
InChiKey=PDGKHKMBHVFCMG-UHFFFAOYSA-N
nan None Achiral Molecule G1T28
TRILACICLIB
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 Smiles=COCCOc1ccc(cc1)Nc2ncc(c(n2)Nc3cccc(c3)NC(=O)C=C)F
InChiKey=KXBDTLQSDKGAEB-UHFFFAOYSA-N
nan None Achiral Molecule AVL-292
CC-292
SPEBRUTINIB
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 Smiles=Cc1ccc(cc1n2c(c(cn2)C(=O)c3cccc(c3)C#N)N)C(=O)NC4CC4
InChiKey=VGUSQKZDZHAAEE-UHFFFAOYSA-N
nan None Single Stereoisomer
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 Smiles=CN1CCN(CC1)c2ccc(c(c2)Nc3ncc4c(n3)-c5c(c(nn5CCO)C(=O)N)CC4)OC(F)(F)F
InChiKey=QHLVBNKYJGBCQJ-UHFFFAOYSA-N
nan None Achiral Molecule NMS-1286937
NMS-P937
ONVANSERTIB
PCM-075
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 Smiles=CC(C)(C(=O)Nc1cccc(c1)S(=O)(=O)Nc2c(nc3ccccc3n2)Nc4cc(ccc4Cl)OC)N
InChiKey=QINPEPAQOBZPOF-UHFFFAOYSA-N
nan None Achiral Molecule PILARALISIB
SAR-245408
SAR245408
XL-147
XL147
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 Smiles=Cc1cc(n[nH]1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C
InChiKey=GCIKSSRWRFVXBI-UHFFFAOYSA-N
nan None Achiral Molecule MK-045
MK-0457
TOZASERTIB
VX-68
VX-680
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 Smiles=CNC(=O)CN1CCC(CC1)Oc2cc3c(cc2OC)ncnc3Nc4cccc(c4F)Cl
InChiKey=DFJSJLGUIXFDJP-UHFFFAOYSA-N
nan None Achiral Molecule AZD-8931
AZD8931
SAPITINIB
Parsaclisib
2 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 Smiles=CCOc1c(cc(c(c1[C@H]2CC(=O)NC2)F)Cl)[C@H](C)n3c4c(c(n3)C)c(ncn4)N
InChiKey=ZQPDJCIXJHUERQ-QWRGUYRKSA-N
nan None Single Stereoisomer INCB-050465
INCB050465
PARSACLISIB
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 Smiles=Cn1c2c(cc(c1=O)Oc3ccc(cc3F)F)cnc(n2)NC(CCO)CCO
InChiKey=JYYLVUFNAHSSFE-UHFFFAOYSA-N
nan None Achiral Molecule JTT-705
PAMAPIMOD
R-1503
R1503
RO-4402257
Acalisib
2 Gilead Sciences ChemSpider
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 Smiles=C[C@@H](c1nc2ccc(cc2c(=O)n1c3ccccc3)F)Nc4c5c(nc[nH]5)ncn4
InChiKey=DOCINCLJNAXZQF-LBPRGKRZSA-N
nan None Single Stereoisomer
CAL-120
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 Smiles=c1ccc-2c(c1)CCCc3c2nnc(c3)n4c(nc(n4)Nc5ccc6c(c5)CC[C@H](CC6)N7CCCC7)N
InChiKey=KXMZDGSRSGHMMK-VWLOTQADSA-N
nan None Single Stereoisomer BEMCENTINIB
BGB 324
BGB324
CS-1046
HY-15150
KB-80319
QC-11751
R428
SYN-1131
W-5845
Ilorasertib
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
Other
Tyr
Smiles=c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N
InChiKey=WPHKIQPVPYJNAX-UHFFFAOYSA-N
nan None Achiral Molecule A-968660
A-968660.0
ABBOTT-968660
ABT-348
ABT-348, A-968660
ILORASERTIB
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 Smiles=CN1CCN(CC1)c2ccc(cc2)Nc3nc4ccsc4c(n3)Oc5cccc(c5)NC(=O)C=C
InChiKey=FDMQDKQUTRLUBU-UHFFFAOYSA-N
nan None Achiral Molecule BI 1482694
BI-1482694
HM-61713
HM61713
OLMUTINIB
Afuresertib
2 GlaxoSmithKline ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
nan 0.0 426.0 3.9 72.9 5.0 2.0 6.0 nan AKT1
AKT2
AKT3
AGC Smiles=Cn1c(c(cn1)Cl)c2cc(sc2Cl)C(=O)N[C@@H](Cc3cccc(c3)F)CN
InChiKey=AFJRDFWMXUECEW-LBPRGKRZSA-N
nan None Single Stereoisomer AFURESERTIB
GSK-2110183
GSK-2110183C
GSK2110183C
Dactolisib
2 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 Smiles=CC(C)(C#N)c1ccc(cc1)n2c3c4cc(ccc4ncc3n(c2=O)C)c5cc6ccccc6nc5
InChiKey=JOGKUKXHTYWRGZ-UHFFFAOYSA-N
nan None Achiral Molecule BEZ-235
BEZ235
DACTOLISIB
NVP-BEZ235
NVP-BEZ235-NX
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 Smiles=c1cc(ccc1Nc2c3nccn3cc(n2)c4ccc5cn[nH]c5c4)N6CCOCC6
InChiKey=XSMSNFMDVXXHGJ-UHFFFAOYSA-N
nan None Achiral Molecule ENTOSPLETINIB
GS-9973
SYK INHIBITOR GS-9973
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 Smiles=COCCNCCc1cccc(c1)Nc2ncc3c(n2)-c4ccccc4[C@@H](C3)c5ccccc5F
InChiKey=KPJDVVCDVBFRMU-AREMUKBSSA-N
nan None Single Stereoisomer ARQ 087
ARQ-087
ARQ087
DERAZANTINIB
Nemiralisib
2 GlaxosmithKline ChemSpider
ChEMBL
PubChem
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 Smiles=CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cccc6c5cc[nH]6
InChiKey=MCIDWGZGWVSZMK-UHFFFAOYSA-N
nan None Achiral Molecule GSK-2269557
GSK-2269557 FREE BASE
GSK-2269557A
GSK2269557A
NEMIRALISIB
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 Smiles=CC(C)(c1cccc(n1)n2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)c(=O)n2CC=C)O
InChiKey=BKWJAKQVGHWELA-UHFFFAOYSA-N
nan None Achiral Molecule ADAVOSERTIB
AZD 1775
AZD-1775
AZD1775
MK-1775
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 Smiles=CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)c4csc(n4)c5ccccc5)C
InChiKey=QDWKGEFGLQMDAM-ULJHMMPZSA-N
nan None Achiral Molecule AMCASERTIB
BBI503
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 Smiles=c1cc(c(c(c1)Cl)c2c3ccc(nn3cnc2=O)Sc4ccc(cc4F)F)Cl
InChiKey=VEPKQEUBKLEPRA-UHFFFAOYSA-N
nan None Achiral Molecule 745
NEFLAMAPIMOD
VD-31
VD-31,745
VD-31745
VRT-031745
VX-745
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 Smiles=Cc1ccc(cc1Nc2nccc(n2)c3cncnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CC[C@@H](C5)N(C)C
InChiKey=ZGBAJMQHJDFTQJ-DEOSSOPVSA-N
nan None Single Stereoisomer BAFETINIB
CNS-9
INNO-406
NS-187
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 Smiles=c1c(c(c[nH]c1=N)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F
InChiKey=ADGGYDAFIHSYFI-UHFFFAOYSA-N
nan None Achiral Molecule BIMIRALISIB
NC-B5
NCB5
PI3K-IN-2
PQR-309
PQR309
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 Smiles=COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F
InChiKey=CXQHYVUVSFXTMY-UHFFFAOYSA-N
nan None Achiral Molecule EXEL-2880
FORETINIB
GSK-089
GSK-1363089
GSK-1363089G
GSK1363089G
XL-880
XL880
Almonertinib
2 Jiangsu Hansoh Pharmaceutical ChemSpider
PubChem
FDA SRS
nan 2.0 525.3 5.3 87.6 8.0 2.0 11.0 nan nan Smiles=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
InChiKey=DOEOECWDNSEFDN-UHFFFAOYSA-N
nan NaN NaN
AMEILE
HS-10296
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 Smiles=c1ccc2c(c1)c3c(o2)c(ncn3)N4CCN(CC4)C(=S)NCc5ccc6c(c5)OCO6
InChiKey=FOFDIMHVKGYHRU-UHFFFAOYSA-N
nan None Achiral Molecule AMUVATINIB
HPK 56
HPK-56
HPK56
MP 470
MP-470
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 Smiles=Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccnc5c4cc(cc5)C(=O)N
InChiKey=IVRXNBXKWIJUQB-UHFFFAOYSA-N
nan None Achiral Molecule GALUNISERTIB
LY-2157299
LY2157299
Gedatolisib
2 Pfizer ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
nan 1.0 615.3 3.0 128.3 10.0 2.0 7.0 nan PIK3CA
PIK3CB
PIK3CG
PIK3CD
MTOR
Atypical Smiles=CN(C)C1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)Nc3ccc(cc3)c4nc(nc(n4)N5CCOCC5)N6CCOCC6
InChiKey=DWZAEMINVBZMHQ-UHFFFAOYSA-N
nan None Achiral Molecule GEDATOLISIB
PF-05212384
PKI-587
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 Smiles=CNC(=O)c1ccc(cc1)Nc2ncc(c(n2)NCc3c(nccn3)N(C)S(=O)(=O)C)C(F)(F)F
InChiKey=FWLMVFUGMHIOAA-UHFFFAOYSA-N
nan None Achiral Molecule DEFACTINIB
PF-04554878
VS-6063
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 Smiles=COCCNCc1ccc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)NC(=S)NC(=O)Cc5ccc(cc5)F
InChiKey=YRCHYHRCBXNYNU-UHFFFAOYSA-N
nan None Achiral Molecule GLESATINIB
MG-90265
MG-90265X
MG90265
MG90265GLY
MG90265H9
MG90265X
MGCD-265
MGCD265
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 Smiles=CC(C)S(=O)(=O)c1ccc(cc1)c2cnc(c(n2)c3cc(no3)c4ccc(cc4)CNC)N
InChiKey=JZCWLJDSIRUGIN-UHFFFAOYSA-N
nan None Achiral Molecule BERZOSERTIB
M-6620
M6620
VE-822
VX-970
VX970
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 Smiles=CNC(=O)c1cccc2c1ccc(c2)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC
InChiKey=CUDVHEFYRIWYQD-UHFFFAOYSA-N
nan None Achiral Molecule AL-3810
CO-3810
E-3810
LUCITANIB
S 80881
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 Smiles=CC1COCCN1c2cc(nc(n2)c3cncc4c3cc[nH]4)C5(CC5)S(=N)(=O)C
InChiKey=DTTJKLNXNZAVSM-UHFFFAOYSA-N
nan None Single Stereoisomer AZD6738
Foslinanib
2 TaiRx ChemSpider
ChEMBL
PubChem
ZINC
FDA SRS
nan 0.0 365.0 2.8 108.8 4.0 3.0 4.0 nan nan Smiles=COc1ccc2c(c1OP(=O)(O)O)c(=O)cc([nH]2)c3cccc(c3)F
InChiKey=ZDWFMAHQGDEALT-UHFFFAOYSA-N
nan None Unknown
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 Smiles=C[C@@H]1CN([C@H](CN1C(=O)c2cc3c(cc2Cl)n(cc3C(=O)C(=O)N(C)C)C)C)Cc4ccc(cc4)F
InChiKey=ZMELOYOKMZBMRB-DLBZAZTESA-N
nan None Single Stereoisomer SCIO 469
SCIO-469
TALMAPIMOD
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 Smiles=CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(ncn2)N
InChiKey=GYLDXIAOMVERTK-UHFFFAOYSA-N
nan None Achiral Molecule INK-128
INK128
MLN-0128
MLN0128
SAPANISERTIB
TAK-228
Rebastinib
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
Smiles=CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC
InChiKey=WVXNSAVVKYZVOE-UHFFFAOYSA-N
nan None Achiral Molecule DCC-2036
DCC-2036 FREE BASE
DP-1919
REBASTINIB
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 Smiles=C[C@H]1COCCN1c2c3ccc(nc3nc(n2)N4CCOC[C@@H]4C)c5cccc(c5)C(=O)NC
InChiKey=JUSFANSTBFGBAF-IRXDYDNUSA-N
nan None Single Stereoisomer AZD-2014
AZD2014
VISTUSERTIB
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 Smiles=CN1CC[C@H]([C@@H]1CO)c2c(cc(c3c2oc(cc3=O)c4ccc(cc4Cl)C(F)(F)F)O)O
InChiKey=MRPGRAKIAJJGMM-OCCSQVGLSA-N
nan None Single Stereoisomer
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
(*)
Smiles=CC(C)Oc1ccc(cc1)NC(=O)N2CCN(CC2)c3c4cc(c(cc4ncn3)OCCCN5CCCCC5)OC
InChiKey=UXXQOJXBIDBUAC-UHFFFAOYSA-N
nan None Achiral Molecule CT-53518
CT53518
MLN-0518
MLN-518
TANDUTINIB
Leniolisib
2 Novartis ChemSpider
ChEMBL
PubChem
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 Smiles=CCC(=O)N1CC[C@@H](C1)Nc2c3c(ncn2)CCN(C3)c4cc(c(nc4)OC)C(F)(F)F
InChiKey=MWKYMZXCGYXLPL-ZDUSSCGKSA-N
nan None Single Stereoisomer CDZ173-NX
LENIOLISIB
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 Smiles=CC(C)(C)Cn1c2c(ccc(n2)c3c(nc([nH]3)C(C)(C)C)c4ccc(cc4)F)nc1N
InChiKey=XPPBBJCBDOEXDN-UHFFFAOYSA-N
nan None Achiral Molecule LSN-2322600 FREE BASE
LSN2322600 FREE BASE
LY-2228820
LY2228820
LY22288220
RALIMETINIB
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 Smiles=C[C@H]1CNCCCN1S(=O)(=O)c2cccc3c2c(cnc3)F
InChiKey=QSKQVZWVLOIIEV-NSHDSACASA-N
nan NaN NaN
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 Smiles=Cc1cc2cc(sc2c(c1)OC)c3c(c(n4c3c(ncn4)N)CN5CCNC(=O)C5)COC
InChiKey=HNLRRJSKGXOYNO-UHFFFAOYSA-N
nan None Achiral Molecule BAY-1163877
ROGARATINIB
Prexasertib
2 Eli Lilly ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
nan 0.0 365.2 2.2 134.8 8.0 3.0 8.0 nan CHEK1
CHEK2
CAMK Smiles=COc1cccc(c1c2cc(n[nH]2)Nc3cnc(cn3)C#N)OCCCN
InChiKey=DOTGPNHGTYJDEP-UHFFFAOYSA-N
nan None Achiral Molecule LY2606368
PREXASERTIB
Ilginatinib
2 Nippon Shinyaku ChemSpider
PubChem
nan 0.0 389.2 4.3 80.6 7.0 2.0 6.0 nan nan Smiles=CC(c1ccc(cc1)F)Nc2cc(cc(n2)Nc3cnccn3)c4cnn(c4)C
InChiKey=UQTPDWDAYHAZNT-UHFFFAOYSA-N
nan None Single Stereoisomer
NS-018
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 Smiles=C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)[S@](=N)(=O)C3CC3)C(F)(F)F)O
InChiKey=UELYDGOOJPRWGF-SRQXXRKNSA-N
nan None Single Stereoisomer
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 Smiles=COc1cc2c(cc1OC3CCN(CC3)C(=O)C=C)c(ncn2)Nc4ccc(c(c4F)Cl)Cl
InChiKey=LPFWVDIFUFFKJU-UHFFFAOYSA-N
nan None Achiral Molecule HM 781-36B
HM-781-36B
NOV-120101
POZIOTINIB
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 Smiles=CN1CC[C@H]([C@@H]1CO)c2c(cc(c3c2oc(cc3=O)c4ccccc4Cl)O)O
InChiKey=QLUYMIVVAYRECT-OCCSQVGLSA-N
nan None Racemic Mixture
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 Smiles=CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6
InChiKey=OAVGBZOFDPFGPJ-UHFFFAOYSA-N
nan None Achiral Molecule AEB-071
AEB071
NVP-AEB071
SOTRASTAURIN
Pimasertib
AS703026; EMD 1036239;AS703026;MSC1936369A;MSC1936369A; AS703026; EMD 1036239 2 Merck ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
nan 0.0 431.0 1.7 94.5 5.0 4.0 6.0 nan MAP2K1
MAP2K2
STE Smiles=c1cc(c(cc1I)F)Nc2cnccc2C(=O)NC[C@@H](CO)O
InChiKey=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
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 Smiles=CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6
InChiKey=LHNIIDJUOCFXAP-UHFFFAOYSA-N
nan None Achiral Molecule CDC-0941
GDC 0941
GDC-0941
PICTILISIB
RG-7321
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 Smiles=C[C@@H](Cn1c2c3cc(ccc3ncc2n(c1=O)C)c4cc(cnc4)C(C)(C)O)OC
InChiKey=ACCFLVVUVBJNGT-AWEZNQCLSA-N
nan None Single Stereoisomer LY 3023414
LY-3023414
LY3023414
SAMOTOLISIB
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 Smiles=Cn1cnc(c1C[N+](C)(C)C/C=C/C(=O)Nc2cc3c(cn2)ncnc3Nc4ccc(c(c4)Br)Cl)[N+](=O)[O-].[Br-]
InChiKey=WAKIMVYUBWMMHJ-FXRZFVDSSA-N
nan None Achiral Molecule TARLOXOTINIB BROMIDE
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 Smiles=Cn1c(c(cn1)Cl)c2cc(oc2Cl)C(=O)N[C@@H](Cc3ccc(c(c3)F)F)CN
InChiKey=AXTAPYRUEKNRBA-JTQLQIEISA-N
nan None Single Stereoisomer GSK-2141795
GSK-2141795C
GSK2141795
GSK2141795C
UPROSERTIB
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 Smiles=CC(C)Nc1cc(c(cn1)Cl)c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl
InChiKey=KSERXGMCDHOLSS-LJQANCHMSA-N
nan None Single Stereoisomer
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 Smiles=CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
InChiKey=NHHQJBCNYHBUSI-UHFFFAOYSA-N
nan NaN NaN R-406
Rabusertib
2 Eli Lilly ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
nan 0.0 435.1 2.9 97.4 6.0 3.0 5.0 nan CHEK1 CAMK Smiles=Cc1cc(c(cc1Br)NC(=O)Nc2cnc(cn2)C)OC[C@@H]3CNCCO3
InChiKey=SYYBDNPGDKKJDU-ZDUSSCGKSA-N
nan None Single Stereoisomer IC-83
LY-2603618
LY2603618
RABUSERTIB
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 Smiles=c1c(c(c(cc1F)F)Nc2n(c3nc(ncc3n2)N[C@H]4CC[C@@H](CC4)O)[C@@H]5COCC5)F
InChiKey=IBGLGMOPHJQDJB-IHRRRGAJSA-N
nan None Single Stereoisomer CC-930
JNK 930
JNK-930
TANZISERTIB
Selonsertib
2 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 Smiles=Cc1cc(c(cc1n2cc(nc2)C3CC3)C(=O)Nc4cccc(n4)c5nncn5C(C)C)F
InChiKey=YIDDLAAKOYYGJG-UHFFFAOYSA-N
nan None Achiral Molecule GS-4997
SELONSERTIB
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 Smiles=Cc1cc(c(=O)n2c1C(=O)NC23CCCCC3)Nc4cc(ncn4)N
InChiKey=HKTBYUWLRDZAJK-UHFFFAOYSA-N
nan None Achiral Molecule EFT-508
EFT508
TOMIVOSERTIB
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 Smiles=c1ccc(cc1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)C6(CCC6)N
InChiKey=HNFMVVHMKGFCMB-UHFFFAOYSA-N
nan None Achiral Molecule ARQ 092
ARQ 092 FREE BASE
ARQ-092
MIRANSERTIB
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 Smiles=CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F
InChiKey=UQRCJCNVNUFYDX-UHFFFAOYSA-N
nan None Achiral Molecule E-7050
E7050
GOLVATINIB
Voxtalisib
2 Sanofi ChemSpider
ChEMBL
PubChem
DrugBank
ZINC
FDA SRS
nan 0.0 270.1 1.1 102.5 6.0 2.0 2.0 nan PIK3CA
MTOR
Atypical Smiles=CCn1c2c(cc(c1=O)c3ccn[nH]3)c(nc(n2)N)C
InChiKey=RGHYDLZMTYDBDT-UHFFFAOYSA-N
nan None Achiral Molecule SAR-245409
SAR245409
VOXTALISIB
XL-765
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 Smiles=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
InChiKey=QIUASFSNWYMDFS-NILGECQDSA-N
nan None Single Stereoisomer PX-866
SONOLISIB
Bentamapimod
2 PregLem ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
nan 0.0 457.2 4.2 84.2 8.0 0.0 7.0 nan MAPK8
MAPK9
CMGC Smiles=N#CC(c1nc2ccccc2s1)c5nc(OCc3ccc(cc3)CN4CCOCC4)ncc5
InChiKey=XCPPIJCBCWUBNT-UHFFFAOYSA-N
nan None Racemic Mixture AS-602801
BENTAMAPIMOD
PGL-5001
Milciclib
2 Nerviano Medical Sciences ChemSpider
ChEMBL
PubChem
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
CMGC
Tyr
Smiles=CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4ccc(cc4)N5CCN(CC5)C)C
InChiKey=RXZMYLDMFYNEIM-UHFFFAOYSA-N
nan None Achiral Molecule MILCICLIB
PHA 848125
PHA-848125
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 Smiles=c1cc2c(cc1c3ccc4ncc(n4c3)C(=O)N5CCOCC5)nc(o2)N
InChiKey=BLGWHBSBBJNKJO-UHFFFAOYSA-N
nan None Achiral Molecule AGN-PC-0DB6FL
INK1117
MLN-1117
MLN1117
SERABELISIB
TAK-117
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 Smiles=Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCN5CCOCC5
InChiKey=MVCOAUNKQVWQHZ-UHFFFAOYSA-N
nan None Achiral Molecule BIRB 796 BS
BIRB-796
BIRB-796 BS
DORAMAPIMOD
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 Smiles=Cc1cc(ccc1c2c3ccc(=O)n(c3nc(n2)NC(CO)CO)c4c(cccc4F)F)F
InChiKey=ORVNHOYNEHYKJG-UHFFFAOYSA-N
nan None Achiral Molecule DILMAPIMOD
GW-681323
SB-681323
SB681323
Tirabrutinib
2 Ono Pharmaceutical ChemSpider
PubChem
nan 0.0 454.2 2.8 108.3 8.0 1.0 4.0 nan nan Smiles=CC#CC(=O)N1CCC(C1)n2c3c(c(ncn3)N)n(c2=O)c4ccc(cc4)Oc5ccccc5
InChiKey=SEJLPXCPMNSRAM-UHFFFAOYSA-N
nan None Single Stereoisomer
ONO-4059(FREE BASE)
ONO-4059
GS-4059
Tepotinib
2 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 nan MET Tyr Smiles=CN1CCC(CC1)COc2cnc(nc2)c3cccc(c3)Cn4c(=O)ccc(n4)c5cccc(c5)C#N
InChiKey=AHYMHWXQRWRBKT-UHFFFAOYSA-N
nan None Achiral Molecule EMD 1214063
EMD-1214063
MSC-2156119
MSC-2156119J
TEPOTINIB
Merestinib
2 Eli Lilly ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'L1X' 4eev 2 2.0 552.2 5.7 106.8 7.0 2.0 6.0 nan MET Tyr Smiles=Cc1ccc(c(=O)n1c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4cc5cnn(c5cc4c6c[nH]nc6)C
InChiKey=QHADVLVFMKEIIP-UHFFFAOYSA-N
nan None Achiral Molecule LY-2801653
LY2801653
MERESTINIB
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 Smiles=Cc1cc(n[nH]1)Nc2cc(c3nc(c(n3n2)Cc4ccc(cc4F)Cl)C)CN5CCOCC5
InChiKey=SQSZANZGUXWJEA-UHFFFAOYSA-N
nan None Achiral Molecule GANDOTINIB
LY-2784544
LY2784544
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 Smiles=CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1
InChiKey=BTIHMVBBUGXLCJ-OAHLLOKOSA-N
nan None Single Stereoisomer AL-39256
CYC-202
NSC-701554
SELICICLIB
Tenalisib
2 Rhizen Pharmaceuticals ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
nan 0.0 415.1 4.8 96.7 6.0 2.0 5.0 nan nan Smiles=CC[C@@H](c1c(c(=O)c2ccccc2o1)c3cccc(c3)F)Nc4c5c([nH]cn5)ncn4
InChiKey=HDXDQPRPFRKGKZ-INIZCTEOSA-N
nan None Single Stereoisomer TENALISIB
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 Smiles=CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)[C@@H](c5ccccc5)OC
InChiKey=XKFTZKGMDDZMJI-HSZRJFAPSA-N
nan None Single Stereoisomer DANUSERTIB
PHA-739358
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 Smiles=c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O
InChiKey=MUOKSQABCJCOPU-UHFFFAOYSA-N
nan None Achiral Molecule CX 4945
CX-4945
CX4945
SILMITASERTIB
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 Smiles=CNC(=O)c1cc(ccn1)COc2c3c(cco3)c(nn2)Nc4ccc(cc4)Cl
InChiKey=QFCXANHHBCGMAS-UHFFFAOYSA-N
nan None Achiral Molecule BAY 57-9352
BAY-57-9352
BAY-579352
TELATINIB
Poseltinib
2 Hanmi Pharmaceutical ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
FDA SRS
BindingDB
nan 0.0 470.2 4.6 95.8 8.0 2.0 7.0 nan nan Smiles=CN1CCN(CC1)c2ccc(cc2)Nc3nc4ccoc4c(n3)Oc5cccc(c5)NC(=O)C=C
InChiKey=LZMJNVRJMFMYQS-UHFFFAOYSA-N
nan None Achiral Molecule HM71224
LY3337641
POSELTINIB
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 Smiles=COc1cc(c(c(c1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)Nc3ccc(cc3F)I)F)F
InChiKey=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
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 Smiles=c1cc(ccc1C23CC4CC(C2)CC(C4)(C3)C(=O)NCc5ccncc5)Cl
InChiKey=CAOTVXGYTWCKQE-UHFFFAOYSA-N
nan None Achiral Molecule ABC 294640
ABC-294640
OPAGANIB
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 Smiles=CCS(=O)(=O)N1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC4CC4)C(=O)N
InChiKey=BGLPECHZZQDNCD-UHFFFAOYSA-N
nan None Single Stereoisomer
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 Smiles=C[C@@H]1COC(=N1)Nc2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5nccs5
InChiKey=UWXSAYUXVSFDBQ-CYBMUJFWSA-N
nan None Single Stereoisomer AR-00334543
ARRY-334543
ARRY-543
ASLAN-001
ASLAN001
VARLITINIB
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 Smiles=CN1CCN(CC1)c2ccc(cc2F)Nc3nc4c(cc[nH]4)c(n3)Oc5cccc(c5)NC(=O)C=C
InChiKey=UOFYSRZSLXWIQB-UHFFFAOYSA-N
nan None Achiral Molecule A610
ABIVERTINIB
AC-0010
AC0010
ACEA100610
EX-ACEA0010
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 Smiles=COc1cc2c(cc1OCCN3CC4(CC4)C5(C3)OCCO5)c(ncn2)Nc6ccc(c(c6)Cl)F
InChiKey=OXWUWXCJDBRCCG-UHFFFAOYSA-N
nan None Achiral Molecule SIM-6802
SIMOTINIB
Abrocitinib
3 Pfizer ChemSpider
PubChem
nan 0.0 323.1 1.3 91.0 5.0 2.0 6.0 nan nan Smiles=CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2
InChiKey=IUEWXNHSKRWHDY-UHFFFAOYSA-N
nan None Single Stereoisomer
PF-04965842
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 Smiles=CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4cccc(c4)NC(=O)C=C)C(F)(F)F
InChiKey=HUFOZJXAKZVRNJ-UHFFFAOYSA-N
nan None Achiral Molecule AVL-301
CNX-419
CO-1686
CS-1631
ROCILETINIB
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 Smiles=c1cc2cc(c1)-c3ccnc(n3)Nc4ccc(c(c4)COC/C=C/COC2)OCCN5CCCC5
InChiKey=HWXVIOGONBBTBY-ONEGZZNKSA-N
nan None Achiral Molecule ONX-0803
PACRITINIB
SB-1518
SB1518
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 Smiles=CC1(COC1)COc2ccc3c(c2)ncn3c4ccc5cccc(c5n4)N6CCC(CC6)N
InChiKey=DYNHJHQFHQTFTP-UHFFFAOYSA-N
nan None Achiral Molecule ARO 002
ARO-002
CP 868596
CP-868,596
CP-868596
CRENOLANIB
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 Smiles=Cc1ccc(cc1Nc2nccc(n2)c3cnccn3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F
InChiKey=DUPWHXBITIZIKZ-UHFFFAOYSA-N
nan None Achiral Molecule IY5511
RADOTINIB
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 Smiles=COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F
InChiKey=ZLHFILGSQDJULK-UHFFFAOYSA-N
nan None Achiral Molecule ALISERTIB
MLN 8237
MLN-8237
MLN8237
Pralsetinib
4 Blueprint Medicines ChemSpider
ChEMBL
FDA SRS
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 Smiles=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
InChiKey=GBLBJPZSROAGMF-BATDWUPUSA-N
2020 None Single Stereoisomer BLU-667
PRALSETINIB
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 Smiles=CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c5ccc(cc5sc4n3)OCCN6CCOCC6
InChiKey=CVWXJKQAOSCOAB-UHFFFAOYSA-N
nan None Achiral Molecule AC-010220
AC-220
AC010220
AC220
ASP-2689
QUIZARTINIB
Nazartinib
3 Novartis ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
nan 0.0 494.2 4.3 83.4 6.0 1.0 6.0 nan nan Smiles=Cc1cc(ccn1)C(=O)Nc2nc3cccc(c3n2[C@@H]4CCCCN(C4)C(=O)/C=C/CN(C)C)Cl
InChiKey=IOMMMLWIABWRKL-WUTDNEBXSA-N
nan None Single Stereoisomer EGF-816
EGF816
NAZARTINIB
NVP-EGF816-NX
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 Smiles=CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCOP(=O)(O)O
InChiKey=GBJVVSCPOBPEIT-UHFFFAOYSA-N
nan None Achiral Molecule AZD 1152
AZD-1152
AZD1152
BARASERTIB
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 Smiles=CN(C)C[C@@H]1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O
InChiKey=ZCBUQCWBWNUWSU-SFHVURJKSA-N
nan None Single Stereoisomer ARXXANT
LY-333531
RUBOXISTAURIN
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 Smiles=Cc1c(cc(cc1F)C(=O)NC2CC2)c3ccc(cn3)C(=O)NCC(C)(C)C
InChiKey=KKYABQBFGDZVNQ-UHFFFAOYSA-N
nan None Achiral Molecule GSK-AHAB
GW-856553
GW-856553X
GW856553X
LOSMAPIMOD
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 Smiles=c1cc(ccc1NC(=O)c2cc(c(nc2)N3CC[C@H](C3)O)c4ccn[nH]4)OC(F)(F)Cl
InChiKey=VOVZXURTCKPRDQ-CQSZACIVSA-N
nan None Single Stereoisomer ABL-001
ABL001
ABL001-NX
ASCIMINIB
NVP-ABL001
Lazertinib
3 Genosco ChemSpider
PubChem
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 Smiles=CN(C)Cc1cn(nc1c2ccccc2)c3ccnc(n3)Nc4cc(c(cc4OC)N5CCOCC5)NC(=O)C=C
InChiKey=RRMJMHOQSALEJJ-UHFFFAOYSA-N
nan NaN NaN
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 Smiles=Cc1cc2c([nH]1)ccc(c2F)Oc3c4cc(c(cc4ncn3)OCCCN5CCCC5)OC
InChiKey=XXJWYDDUDKYVKI-UHFFFAOYSA-N
nan None Achiral Molecule AZD-2171
AZD2171
CEDIRANIB
RECENTIN
ZD-2171
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 Smiles=C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
InChiKey=UIARLYUEJFELEN-LROUJFHJSA-N
nan None Single Stereoisomer A-154475
A-154475.0
CEP-701
KT-555
KT5555
LESTAURTINIB
SP-924
SP924
SPM-924
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 Smiles=Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F
InChiKey=MPVGZUGXCQEXTM-UHFFFAOYSA-N
nan None Achiral Molecule A-741439
ABT-869
AL-39324
LINIFANIB
RG-3635
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 Smiles=COCCNCc1ccc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F
InChiKey=WLAVZAAODLTUSW-UHFFFAOYSA-N
nan None Achiral Molecule MG-516
MG-91516
MGCD-516
MGCD516
SITRAVATINIB
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 Smiles=Cc1cc([nH]c1/C=C\2/c3ccccc3NC2=O)C
InChiKey=WUWDLXZGHZSWQZ-WQLSENKSSA-N
nan None Achiral Molecule NSC-696819
SEMAXANIB
SEMAXINIB
SU-5416
SU005416
SU5416
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 Smiles=C[C@]1(C[C@@H](C1)c2n3c(c(ncc3)N)c(n2)c4cc5nc(ccc5cc4)c6ccccc6)O
InChiKey=PKCDDUHJAFVJJB-VLZXCDOPSA-N
nan None Single Stereoisomer ASP-7487
LINSITINIB
OSI-906
OSI-906AA
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 Smiles=C[C@@H](c1ccc2nccn2c1)n3c4c(ncc(n4)c5cnn(c5)C)nn3
InChiKey=XYDNMOZJKOGZLS-NSHDSACASA-N
nan None Single Stereoisomer AZD-6094
AZD6094
HMPL-504
SAVOLITINIB
VOLITINIB
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 Smiles=CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl
InChiKey=OUKYUETWWIPKQR-UHFFFAOYSA-N
nan None Achiral Molecule AZ-10353926
AZD-0530
AZD0530
SARACATINIB
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 Smiles=CCc1c(nc(c(n1)C(=O)N)Nc2ccc(cc2)N3CCC(CC3)N4CCN(CC4)C)O[C@@H]5CCN(C5)C(=O)C=C
InChiKey=QKDCLUARMDUUKN-XMMPIXPASA-N
nan None Single Stereoisomer ASP-8273
ASP8273
NAQUOTINIB
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 Smiles=CN1CC[C@@H]([C@@H](C1)O)c2c(cc(c3c2oc(cc3=O)c4ccccc4Cl)O)O
InChiKey=BIIVYFLTOXDAOV-YVEFUNNKSA-N
nan None Single Stereoisomer ALVOCIDIB
FLAVOPIRIDOL
HL 275
HMR 1275
L 86 8275
L-868275
MDL-107826A
NSC-649890
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 Smiles=Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
InChiKey=WJEOLQLKVOPQFV-UHFFFAOYSA-N
nan None Achiral Molecule AB-1010
KINAVET
MASITINIB
MASIVET
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 Smiles=COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CCN(C4)C(=O)C=C)N
InChiKey=KEIPNCCJPRMIAX-UHFFFAOYSA-N
nan None Unknown
Tesevatinib
3 Kadmon Corporation ChemSpider
ChEMBL
DrugBank
ZINC
FDA SRS
nan 1.0 490.1 5.8 59.5 6.0 1.0 6.0 nan EGFR
ERBB2
KDR
FLT4
EPHB4
Tyr Smiles=CN1C[C@H]2C[C@H](C[C@H]2C1)COc3cc4c(cc3OC)c(ncn4)Nc5ccc(c(c5F)Cl)Cl
InChiKey=HVXKQKFEHMGHSL-QKDCVEJESA-N
nan None Racemic Mixture EXEL-7647
KD-019
KD-020
KD019
TESEVATINIB
XL-647
XL647
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 Smiles=CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
InChiKey=RAHBGWKEPAQNFF-UHFFFAOYSA-N
nan None Achiral Molecule AMG 706
MOTESANIB
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 Smiles=CCOc1cc2c(cc1NC(=O)/C=C/[C@H]3CCCN3C)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)OCc5ccccn5
InChiKey=SADXACCFNXBCFY-IYNHSRRRSA-N
nan None Single Stereoisomer
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
Smiles=COc1ccc(cc1NCC(=O)O)CS(=O)(=O)/C=C/c2c(cc(cc2OC)OC)OC
InChiKey=OWBFCJROIKNMGD-BQYQJAHWSA-N
nan None Achiral Molecule ON 01910
RIGOSERTIB
Brivanib Alaninate
3 ZAI Lab 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 Smiles=Cc1cc2c([nH]1)ccc(c2F)Oc3c4c(c(cn4ncn3)OC[C@@H](C)OC(=O)[C@H](C)N)C
InChiKey=LTEJRLHKIYCEOX-OCCSQVGLSA-N
nan None Single Stereoisomer BMS-582664
BMS-582664-02
BRIVANIB ALANINATE
BRIVANIB L-ALANINE ESTER
Volasertib
3 Boehringer Ingelheim ChemSpider
ChEMBL
DrugBank
RCSB
PDBe
Guide to Pharmacology
FDA SRS
BindingDB
'IBI' 3fc2 5v67 5vbr 1 1.0 618.4 4.3 106.2 9.0 2.0 10.0 nan PLK1 Other Smiles=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
InChiKey=SXNJFOWDRLKDSF-STROYTFGSA-N
nan None Single Stereoisomer BI 6727
BI-6727
VOLASERTIB
Umbralisib
3 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 nan nan Smiles=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
InChiKey=IUVCFHHAEHNCFT-INIZCTEOSA-N
nan None Single Stereoisomer RP-5264
RP5264
TGR 1202
TGR-1202 BASE
TGR-1202 FREE BASE
UMBRALISIB
Peficitinib
3 Astellas Pharma ChemSpider
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 Smiles=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
InChiKey=DREIJXJRTLTGJC-ZKVNVPQCSA-N
nan None Racemic Mixture
ASP015K
JNJ-54781532
ASP-015K
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 Smiles=C[C@@H]1C[C@H](c2c1c(ncn2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)c4ccc(cc4)Cl)O
InChiKey=GRZXWCHAXNAUHY-NSISKUIASA-N
nan None Single Stereoisomer GDC-0068
IPATASERTIB
RG-7440
RG7440
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 Smiles=c1ccc2c(c1)c(nnc2Nc3ccc(cc3)Cl)Cc4ccncc4
InChiKey=YCOYDOIWSSHVCK-UHFFFAOYSA-N
nan None Achiral Molecule BAY-86-5127
CGP-79787
K-222584
NVP-PTK787
PTK-787
PTK787
VATALANIB
ZK-222584
Infigratinib
3 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 nan FGFR1
FGFR2
FGFR3
Tyr Smiles=CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
InChiKey=QADPYRIHXKWUSV-UHFFFAOYSA-N
nan None Achiral Molecule BGJ-398
BGJ398
INFIGRATINIB
MVP-BGJ398
NVP-BGJ398
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 Smiles=c1cnc-2[nH]cnc(c12)c3cnn(c3)C4(CN(C4)C5CCN(CC5)C(=O)c6ccnc(c6F)C(F)(F)F)CC#N
InChiKey=KTBSXLIQKWEBRB-UHFFFAOYSA-N
nan None Achiral Molecule INCB-039110
INCB-39110
INCB039110
ITACITINIB
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
(*)
Smiles=CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)[O-])N4CCCC[C@H]4CCO
InChiKey=PIMQWRZWLQKKBJ-SFHVURJKSA-N
nan None Single Stereoisomer DINACICLIB
MK-7965
SCH-727965
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 Smiles=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
InChiKey=GLYMPHUVMRFTFV-QLFBSQMISA-N
nan None Single Stereoisomer ENSARTINIB
X-396
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 Smiles=c1cc(ccc1[C@H](CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl
InChiKey=JDUBGYFRJFOXQC-KRWDZBQOSA-N
nan None Single Stereoisomer AZC5363
AZD 5363
AZD-5363
AZD5363
CAPIVASERTIB
Filgotinib
3 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 Smiles=c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5
InChiKey=RIJLVEAXPNLDTC-UHFFFAOYSA-N
nan None Achiral Molecule FILGOTINIB
G146034
GLPG-0634
GLPG0634
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 Smiles=C=CC(=O)N1CCC(CC1)CNc2c(c(ncn2)N)c3ccc(cc3)Oc4ccccc4
InChiKey=QUIWHXQETADMGN-UHFFFAOYSA-N
nan None Achiral Molecule EVOBRUTINIB
M-2951
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 Smiles=CCN(CC)CCN1CCc2c(c(c([nH]2)/C=C\3/c4cc(ccc4NC3=O)F)C)C1=O
InChiKey=GKEYKDOLBLYGRB-LGMDPLHJSA-N
nan None Single Stereoisomer SHR-1020
Enzastaurin
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 Smiles=Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7
InChiKey=AXRCEOKUDYDWLF-UHFFFAOYSA-N
nan None Achiral Molecule ENZASTAURIN
LY-317615
LY317615
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 Smiles=c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F
InChiKey=CWHUFRVAEUJCEF-UHFFFAOYSA-N
nan None Achiral Molecule BKM-120
BKM-120NX
BKM120-NX
BUPARLISIB
NVP-BKM-120
NVP-BKM120
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 Smiles=Cc1cc2c([nH]1)ccc(c2F)Oc3c4c(c(cn4ncn3)OC[C@@H](C)O)C
InChiKey=WCWUXEGQKLTGDX-LLVKDONJSA-N
nan None Single Stereoisomer BMS-540215
BRIVANIB
Fruquintinib
3 Hutchison MediPharma ChemSpider
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 Smiles=Cc1c(c2ccc(cc2o1)Oc3c4cc(c(cc4ncn3)OC)OC)C(=O)NC
InChiKey=BALLNEJQLSTPIO-UHFFFAOYSA-N
nan None Single Stereoisomer HMPL-013
HMP-013
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 Smiles=C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
InChiKey=OMZCMEYTWSXEPZ-UHFFFAOYSA-N
nan None Achiral Molecule CANERTINIB
CI-1033
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 Smiles=Cc1cc2cc(ccc2[nH]1)Oc3ccnc(n3)Nc4cccc(c4)CS(=O)(=O)NCCN(C)C
InChiKey=TTZSNFLLYPYKIL-UHFFFAOYSA-N
nan None Achiral Molecule HMPL-012
SULFATINIB
SURUFATINIB
Dovitinib
3 Novartis ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
ZINC
FDA SRS
BindingDB
'38O' 4tyi 5a46 5am6 5am7 5owq 1 0.0 392.2 2.5 94.0 5.0 3.0 2.0 nan FGFR3
VEGFA
FGFR1
PDGFRA
KIT
CSF1R
Tyr
(*)
Smiles=CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4c(c5c(cccc5F)[nH]c4=O)N
InChiKey=PIQCTGMSNWUMAF-UHFFFAOYSA-N
nan None Achiral Molecule CHIR-258
DOVITINIB
GFKI-258
NVP-TKI258
TKI-258
Momelotinib
3 Ym Biosciences Australia ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'C87' 6fdz nan 0.0 414.2 3.0 103.2 7.0 2.0 6.0 nan JAK1
JAK2
JAK3
Tyr Smiles=c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)C(=O)NCC#N
InChiKey=ZVHNDZWQTBEVRY-UHFFFAOYSA-N
nan None Achiral Molecule CYT-0387
CYT-11387
CYT-387
CYT387
GS-0387
MOMELOTINIB
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 Smiles=c1ccc2c(c1)c(c[nH]2)[C@H]3[C@@H](C(=O)NC3=O)c4cn5c6c4cccc6CCC5
InChiKey=UCEQXRCJXIVODC-PMACEKPBSA-N
nan None Single Stereoisomer ARQ 197
ARQ-197
TIVANTINIB
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 Smiles=Cc1nc(n(n1)C(C)C)c2cn3c(n2)-c4ccc(cc4OCC3)c5cnn(c5)C(C)(C)C(=O)N
InChiKey=BEUQXVWXFDOSAQ-UHFFFAOYSA-N
nan None Racemic Mixture GDC-0032
RG-7604
TASELISIB
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 Smiles=Cc1c(c([nH]c1/C=C\2/c3ccccc3NC2=O)C)CCC(=O)O
InChiKey=NHFDRBXTEDBWCZ-ZROIWOOFSA-N
nan None Achiral Molecule NSC-702827
ORANTINIB
SU-6668
TSU-68
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 Smiles=COc1cc2c(cc1NC(=O)/C=C/CN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
InChiKey=LVXJQMNHJWSHET-AATRIKPKSA-N
2018 US-7772243-B2 Achiral Molecule DACOMITINIB
DACOMITINIB HYDRATE
PF-00299804
Y 184-187 ºC
Dabrafenib
Tafinlar 4 GlaxoSmithKline ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'P06' 4xv2 5csw 5hie 6hj2 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
TKL
NEK
CAMK
Smiles=CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F
InChiKey=BFSMGDJOXZAERB-UHFFFAOYSA-N
2013 US-7994185-B2 Achiral Molecule DABRAFENIB
GSK-2118436
GSK-2118436A
GSK2118436
GSK2118436A
TAFINLAR
Y
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 Smiles=C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4
InChiKey=KTEIFNKAUNYNJU-GFCCVEGCSA-N
2011 US-7230098-B2 Single Stereoisomer CRIZOTINIB
PF-02341066
PF-2341066
XALKORI
Y
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 Smiles=CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccn4
InChiKey=JWNPDZNEKVCWMY-VQHVLOKHSA-N
2017 US-6288082-B1 Achiral Molecule CDP-820
HKI-272
NERATINIB
WAY-179272
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 Smiles=C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N
InChiKey=UJLAWZDWDVHWOW-YPMHNXCESA-N
2012 US-6956041-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
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 Smiles=CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F
InChiKey=BCFGMOOMADDAQU-UHFFFAOYSA-N
2007 US-6713485-B2 Achiral Molecule GSK-572016
GW-2016
GW-572016
GW-572016X
GW572016
LAPATINIB
TYVERB
Y
Pexidartinib
Turalio 4 Daiichi Sankyo ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'P31' 4r7h 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 Smiles=c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(nc4)C(F)(F)F
InChiKey=JGWRKYUXBBNENE-UHFFFAOYSA-N
2019 None Achiral Molecule CML-261
PEXIDARTINIB
PLX-3397
PLX3397
Y
Palbociclib
Ibrance 4 Pfizer ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'LQQ' 2euf 5l2i 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 Smiles=Cc1c2cnc(nc2n(c(=O)c1C(=O)C)C3CCCC3)Nc4ccc(cn4)N5CCNCC5
InChiKey=AHJRHEGDXFFMBM-UHFFFAOYSA-N
2015 US-6936612-B2 Achiral Molecule IBRANCE
PALBOCICLIB
PD-0332991
Y 263-266 ºC
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 Smiles=Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C
InChiKey=CUIHSIWYWATEQL-UHFFFAOYSA-N
2009 US-7105530-B2 Achiral Molecule GW786034
PAZOPANIB
VOTRIENT
Y
Netarsudil
Rhopressa 4 Aerie Pharmaceutical ChemSpider
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 Smiles=Cc1ccc(c(c1)C)C(=O)OCc2ccc(cc2)[C@@H](CN)C(=O)Nc3ccc4cnccc4c3
InChiKey=OURRXQUGYQRVML-AREMUKBSSA-N
2017 US-8394826-B2 Racemic Mixture AR-11324 FREE BASE
AR-13324
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 Smiles=Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
InChiKey=ZBNZXTGUTAYRHI-UHFFFAOYSA-N
2006 US-6596746-B1 Achiral Molecule BMS-354825
BMS-354825 HYDRATE
BMS-354825-03
DASATINIB
DASATINIB HYDRATE
DASATINIB MONOHYDRATE
SPRYCEL
Y 280-286 °C
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 Smiles=CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
InChiKey=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 Smiles=Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F
InChiKey=HHZIURLSWUIHRB-UHFFFAOYSA-N
2007 US-7169791-B2 Achiral Molecule AMN 107
AMN107
NILOTINIB
TASIGNA
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 Tivozanib is an oral VEGF receptor tyrosine kinase inhibitor. FLT1
KDR
FLT4
Tyr Smiles=Cc1cc(no1)NC(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC
InChiKey=SPMVMDHWKHCIDT-UHFFFAOYSA-N
nan None Achiral Molecule ASP-4130
AV-951
FOTIVDA
KIL-8951
KIL8951
KRN-951
TIVOZANIB
N
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 Smiles=C[C@@H](c1cc2cccc(c2c(=O)n1c3ccccc3)Cl)Nc4c5c([nH]cn5)ncn4
InChiKey=SJVQHLPISAIATJ-ZDUSSCGKSA-N
2018 US-8193182-B2 Single Stereoisomer COPIKTRA
DUVELISIB
INK-1147
INK-1197
IPI-145
Y >190 ºC
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 Smiles=C#Cc1cccc(c1)Nc2c3cc4c(cc3ncn2)OCCOCCOCCO4
InChiKey=QQLKULDARVNMAL-UHFFFAOYSA-N
2011 None Achiral Molecule BPI-2009H
ICOTINIB
N
Erdafitinib
Balversa 4 Janssen ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
'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 Smiles=CC(C)NCCN(c1ccc2c(c1)nc(cn2)c3cnn(c3)C)c4cc(cc(c4)OC)OC
InChiKey=OLAHOMJCDNXHFI-UHFFFAOYSA-N
2019 US-8895601-B2 Achiral Molecule BALVERSA
ERDAFITINIB
JNJ-42756493
Y
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 Smiles=CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F
InChiKey=HAYYBYPASCDWEQ-UHFFFAOYSA-N
2019 None Achiral Molecule ENTRECTINIB
NMS-E628
RXDX-101
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 Smiles=CCN1CCN(CC1)Cc2ccc(nc2)Nc3ncc(c(n3)c4cc5c(c(c4)F)nc(n5C(C)C)C)F
InChiKey=UZWDCWONPYILKI-UHFFFAOYSA-N
2017 US-7855211-B2 Achiral Molecule ABEMACICLIB
LY-2835219
LY2835219
VERZENIO
VERZENIOS
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 Smiles=CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C
InChiKey=GKDRMWXFWHEQQT-UHFFFAOYSA-N
2018 US-7449458-B2 Achiral Molecule FOSTAMATINIB
R-788
R-935788
R788 FREE ACID
R935788 FREE ACID
Y
Trametinib
Mekinist 4 GlaxoSmithKline ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
'QOM' 7jur 7jux 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
Smiles=Cc1c2c(c(n(c1=O)C)Nc3ccc(cc3F)I)c(=O)n(c(=O)n2c4cccc(c4)NC(=O)C)C5CC5
InChiKey=LIRYPHYGHXZJBZ-UHFFFAOYSA-N
2013 US-7378423-B2 Achiral Molecule GSK-1120212
GSK1120212
JTP 74057
JTP-74057
MEKINIST
TRAMETINIB
Y 293-303
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 Smiles=Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
InChiKey=KTUFNOKKBVMGRW-UHFFFAOYSA-N
2001 US-6894051-B1 Achiral Molecule GLEEVEC
IMATINIB
STI-571
Y 226°C (mesylate salt)
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
(*)
Smiles=CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
InChiKey=UHTHHESEBZOYNR-UHFFFAOYSA-N
2011 US-7173038-B1 Achiral Molecule CAPRELSA
GNF-PF-2188
VANDETANIB
ZACTIMA
ZD-64
ZD6474
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 Smiles=C[C@@H](CNc1nccc(n1)c2cn(nc2c3cc(cc(c3F)NS(=O)(=O)C)Cl)C(C)C)NC(=O)OC
InChiKey=CMJCXYNUCSMDBY-ZDUSSCGKSA-N
2018 US-8501758-B2 Single Stereoisomer BRAFTOVI
ENCORAFENIB
LGX-818
NVP-LGX-818-NXA
NVP-LGX818
NVP-LGX818-NXA
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 Smiles=CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)F
InChiKey=GPXBXXGIAQBQNI-UHFFFAOYSA-N
2011 US-7504509-B2 Achiral Molecule PLX-4032
PLX4032
RG 7204
RO 5185426
RO-51-85426
VEMURAFENIB
ZELBORAF
Y 272°C
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
Smiles=Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C
InChiKey=PHXJVRSECIGDHY-UHFFFAOYSA-N
2012 US-8114874-B2 Achiral Molecule 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 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 Smiles=C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N
InChiKey=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
Gilteritinib
Xospata 4 Astellas Pharma ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'C6F' 6jqr 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 Smiles=CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5
InChiKey=GYQYAJJFPNQOOW-UHFFFAOYSA-N
2018 US-8969336-B2 Achiral Molecule ASP-2215
ASP2215
GILTERITINIB
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 Smiles=c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3
InChiKey=NGOGFTYYXHNFQH-UHFFFAOYSA-N
nan None Achiral Molecule AT 877
AT-877
FASUDIL
HA 1077
HA-1077
ZK-258594
N
Cobimetinib
Cotellic 4 Hoffmann-La Roche ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'EUI' 4an2 4lmn 7juy 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 Smiles=c1c(cc(c(c1)Nc2c(c(ccc2C(=O)N3C[C@@](C3)(O)[C@H]4NCCCC4)F)F)F)I
InChiKey=BSMCAPRUBJMWDF-KRWDZBQOSA-N
2015 US-7803839-B2 Single Stereoisomer COBIMETINIB
COTELLIC
GDC-0973
RG 7420
RG-7421
XL-518
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
(*)
Smiles=COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
InChiKey=AAKJLRGGTJKAMG-UHFFFAOYSA-N
2004 US-6900221-B1 Achiral Molecule CP-358,774
CP-358774
CP-35877401
ERLOTINIB
OSI-774
R-1415
RG-1415
RO-508231
TARCEVA
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 Smiles=CC[C@@H](c1nc2cccc(c2c(=O)n1c3ccccc3)F)Nc4c5c([nH]cn5)ncn4
InChiKey=IFSDAJWBUCMOAH-HNNXBMFYSA-N
2014 US-6800620-B2 Single Stereoisomer CAL-101
GS-1101
GS-11CAL-101
IDELALISIB
ZYDELIG
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
TKL
CMGC
Tyr
Smiles=CNC(=O)c1cc(ccn1)Oc2ccc(c(c2)F)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
InChiKey=FNHKPVJBJVTLMP-UHFFFAOYSA-N
2012 US-7351834-B1 Achiral Molecule BAY 73-4506
BAY 73-4506 MONOHYDRATE
BAY-734506
REGORAFENIB
STIVARGA
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 Smiles=CC#CC(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5ccccn5
InChiKey=WDENQIQQYWYTPO-IBGZPJMESA-N
2017 US-7459554-B2 Single Stereoisomer ACALABRUTINIB
ACP-196
CALQUENCE
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 Smiles=C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
InChiKey=BMGQWWVMWDBQGC-IIFHNQTCSA-N
2017 US-7973031-B2 Single Stereoisomer CGP 41251
MIDOSTAURIN
NVP-PKC412
PKC 412
PKC-412
RYDAPT
Y 235-260
Ripretinib
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 Smiles=CCn1c2cc(ncc2cc(c1=O)c3cc(c(cc3Br)F)NC(=O)Nc4ccccc4)NC
InChiKey=CEFJVGZHQAGLHS-UHFFFAOYSA-N
2020 None Achiral Molecule DCC-2618
RIPRETINIB
Y
Fedratinib
Inrebic 4 Sanofi ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'2TA' 4ogj 4ps5 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
(*)
Smiles=Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
InChiKey=JOOXLOJCABQBSG-UHFFFAOYSA-N
2019 None Achiral Molecule FEDRATINIB
SAR-302503
SAR302503
TG-101348
TG101348
Y
Flumatinib
4 Jiangsu Hengrui Medicine ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
nan 2.0 562.2 5.0 99.2 8.0 2.0 7.0 nan BCR
ABL1
PDGFRB
KIT
Tyr
Atypical
Smiles=Cc1c(cc(cn1)NC(=O)c2ccc(c(c2)C(F)(F)F)CN3CCN(CC3)C)Nc4nccc(n4)c5cccnc5
InChiKey=BJCJYEYYYGBROF-UHFFFAOYSA-N
nan None Achiral Molecule FLUMATINIB
HH-GV678
HHGV-678
N
Zanubrutinib
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 Smiles=C=CC(=O)N1CCC(CC1)C2CCNc3n2nc(c3C(=O)N)c4ccc(cc4)Oc5ccccc5
InChiKey=RNOAOAWBMHREKO-UHFFFAOYSA-N
2019 None Single Stereoisomer 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 Smiles=CNC(=O)c1ccc(cc1F)c2cnc3ncc(n3n2)Cc4ccc5c(c4)cccn5
InChiKey=LIOLIMKSCNQPLV-UHFFFAOYSA-N
2020 None Achiral Molecule CAPMATINIB
INC-280
INC280
INCB-28060
INCB-28060 FREE BASE
NVP-INC280
NVP-INC280-NX
NYP-INC280-NX
Y
Selumetinib
4 Astrazeneca ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'3EW' 4u7z 7jut 7juz 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 Smiles=Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
InChiKey=CYOHGALHFOKKQC-UHFFFAOYSA-N
2020 None Achiral Molecule ARRY-142886
ARRY-886
AZD-6244
AZD6244
SELUMETINIB
Y
Selpercatinib
4 Loxo Oncology ChemSpider
PubChem
DrugBank
Guide to Pharmacology
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 Smiles=COC1C=CC(CN2C3CN(CC2C3)C2C=CC(=CN=2)C2=CC(=CN3N=CC(C#N)=C32)OCC(C)(C)O)=CN=1
InChiKey=XIIOFHFUYBLOLW-UHFFFAOYSA-N
2020 NaN NaN
WHO 10967
LOXO-292
RETEVMO
LY3527723
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 Smiles=CC[C@@H]1CN(C[C@@H]1c2cnc3n2c4cc[nH]c4nc3)C(=O)NCC(F)(F)F
InChiKey=WYQFJHHDOKWSHR-MNOVXSKESA-N
2019 None Single Stereoisomer ABT-494
UPADACITINIB
Y 16-19
Pemigatinib
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 Smiles=CCN1c2c3cc([nH]c3ncc2CN(C1=O)c4c(c(cc(c4F)OC)OC)F)CN5CCOCC5
InChiKey=HCDMJFOHIXMBOV-UHFFFAOYSA-N
2020 None Achiral Molecule INCB054828
PEMIGATINIB
Y
Tucatinib
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 Smiles=Cc1cc(ccc1Oc2ccn3c(c2)ncn3)Nc4c5cc(ccc5ncn4)NC6=NC(CO6)(C)C
InChiKey=SDEAXTCZPQIFQM-UHFFFAOYSA-N
2020 None Achiral Molecule ARRY-380
ONT-380
TUCATINIB
Y 230
Osimertinib
Tagrisso 4 Astrazeneca ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'YY3' 4zau 6jwl 6jx0 6jx4 6jxt 6lud 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 Smiles=Cn1cc(c2c1cccc2)c3ccnc(n3)Nc4cc(c(cc4OC)N(C)CCN(C)C)NC(=O)C=C
InChiKey=DUYJMQONPNNFPI-UHFFFAOYSA-N
2015 US-8946235-B2 Achiral Molecule AZD-9291
AZD-9291 FREE BASE
AZD9291
OSIMERTINIB
TAGRISSO
Y
Brigatinib
Alunbrig 4 Ariad Pharmaceuticals ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
ZINC
FDA SRS
BindingDB
'6GY' 6mx8 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 Smiles=CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl
InChiKey=AILRADAXUVEEIR-UHFFFAOYSA-N
2017 US-9012462-B2 Achiral Molecule ALUNBRIG
AP-26113
AP26113
BRIGATINIB
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
CAMK
CMGC
Tyr
Atypical
Smiles=CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
InChiKey=UBPYILGKFZZVDX-UHFFFAOYSA-N
2012 US-7417148-B2 Achiral Molecule BOSULIF
BOSUTINIB
BOSUTINIB MONOHYDRATE
SK-606
SKI-606
Y
Binimetinib
Mektovi 4 Novartis ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
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 Smiles=Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3F)Br)C(=O)NOCCO
InChiKey=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 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 Smiles=CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4ncn3
InChiKey=XUZMWHLSFXCVMG-UHFFFAOYSA-N
2017 US-8158616-B2 Achiral Molecule BARICITINIB
INCB-28050
INCB028050
LY-3009104
OLUMIANT
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 Smiles=CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
InChiKey=RITAVMQDGBJQJZ-FMIVXFBMSA-N
2012 US-6534524-B1 Achiral Molecule AG-013736
AG-13736
AXITINIB
INLYTA
Y
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 Smiles=N#CC1(CCCC1)c1ccc(cc1)NC(=O)c1cccnc1Nc1cnccc1C
InChiKey=MGZNERAVOCFMCU-UHFFFAOYSA-N
2014 NaN NaN
S-1
YN968D1,(AITAN®
APATINIB
YEW
ESYLATE APATINIB
APATINIB 750MG
AI TAN
SHR-1210
YN968D1
ARM A
EGAFUR
PEMETREXED
H20140103
APATINIB MESYLAS
XELOX
VP-16
NAVELBINE+AITAN
REATMENT GROUP
PACLITAXOL
ATAN
EMOZOLOMIDE(TMZ)
APATINIB GROUP
ARGET THERAPY
OXALIPLATIN
STUDY DRUG
PLATINU
NO.
AITAN
CRYOABLATION
S1
APATINIB MESYLATE
ALBUMIN PACLITAXEL
EMOZOLOMIDE
CAPECITABINE
APATINIB 500MG
SPA
APATINIB TABLETS
DOCETAXEL
CARBOPLATIN
5-FLUOROURACIL
N
Ruxolitinib
Jakafi;Jakavi 4 Incyte Corporation ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'RXT' 4u5j 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 Smiles=c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
InChiKey=HFNKQEVNSGCOJV-OAHLLOKOSA-N
2011 US-7598257-B2 Single Stereoisomer INC-424
INC424
INCB-018424
INCB-18424
INCB018424
JAKAVI
RUXOLITINIB
Y
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 Smiles=C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F
InChiKey=IIXWYSCJSQVBQM-LLVKDONJSA-N
2018 US-8680111-B2 Single Stereoisomer LORBRENA
LORLATINIB
PF-06463922
Y
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
TKL
Tyr
Smiles=CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
InChiKey=MLDQJTXFUGDVEO-UHFFFAOYSA-N
2005 US-7235576-B1 Achiral Molecule BAY 43-9006
NEXAVAR
SORAFENIB
Y 205.6 °C
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 Smiles=CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C
InChiKey=WINHZLLDWRZWRT-ATVHPVEESA-N
2006 US-6573293-B2 Achiral Molecule SU-011248
SU-11248
SU011248
SUNITINIB
SUTENT
Y
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 Smiles=COc1cc2c(cc1C(=O)N)c(ccn2)Oc3ccc(c(c3)Cl)NC(=O)NC4CC4
InChiKey=WOSKHXYHFSIKNG-UHFFFAOYSA-N
2015 US-7253286-B2 Achiral Molecule E-7080
ER-203492-00
KISPLYX
LENVATINIB
LENVIMA
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 Smiles=c1cc(c(cc1F)[C@H]2CCCN2c3ccn4c(n3)c(cn4)NC(=O)N5CC[C@@H](C5)O)F
InChiKey=NYNZQNWKBKUAII-KBXCAEBGSA-N
2018 US-8513263-B2 Single Stereoisomer ARRY-470
LAROTRECTINIB
LOXO-101
Y
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 Smiles=CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5
InChiKey=RHXHGRAEPCAFML-UHFFFAOYSA-N
2017 US-8324225-B2 Achiral Molecule LEE-011
LEE-011A
LEE011
NVP-LEE011
RIBOCICLIB
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 Smiles=COc1c(ccc2c1N=C(N3C2=NCC3)NC(=O)c4cnc(nc4)N)OCCCN5CCOCC5
InChiKey=PZBCKZWLPGJMAO-UHFFFAOYSA-N
2017 US-7511041-B2 Achiral Molecule BAY 80-6946
BAY-80-6946
BAY80-6946
COPANLISIB
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 Smiles=Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl
InChiKey=VERWOWGGCGHDQE-UHFFFAOYSA-N
2014 US-7153964-B2 Achiral Molecule CERITINIB
LDK-378
LDK378
NVP-LDK-378-NX
NVP-LDK378-NX
ZYKADIA
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 Smiles=COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F
InChiKey=ONIQOQHATWINJY-UHFFFAOYSA-N
2012 US-7579473-B2 Achiral Molecule BMS-907351
CABOMETYX
CABOZANTINIB
COMETRIQ
XL-184 FREE BASE
XL184
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 Smiles=CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
InChiKey=ULXXDDBFHOBEHA-CWDCEQMOSA-N
2013 US-RE43431-E1 Single Stereoisomer AFATINIB
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 Smiles=CCc1cc2c(cc1N3CCC(CC3)N4CCOCC4)C(c5c(c6ccc(cc6[nH]5)C#N)C2=O)(C)C
InChiKey=KDGFLJKFZUIJMX-UHFFFAOYSA-N
2015 US-9126931-B2 Achiral Molecule AF802
ALECENSA
ALECTINIB
CH5424802
RO-5424802
RO5424802
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 Smiles=Cc1c(sc(n1)NC(=O)N2CCC[C@H]2C(=O)N)c3ccnc(c3)C(C)(C)C(F)(F)F
InChiKey=STUWGJZDJHPWGZ-LBPRGKRZSA-N
2019 US-8227462-B2 Single Stereoisomer ALPELISIB
BYL-719
NVP-BYL719
PIQRAY
Y
Anlotinib
4 Advenchen Laboratories ChemSpider
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 Smiles=Cc1cc2c([nH]1)ccc(c2F)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC
InChiKey=KSMZEXLVHXZPEF-UHFFFAOYSA-N
nan None Single Stereoisomer ATC I
APCII
FU KE WEI
FOCUS V
ATCII
AL3818
APC I
ANLOTINIB
AL 3818
AL-3818
ALTN
N
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 Smiles=COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
InChiKey=XGALLCVXEZPNRQ-UHFFFAOYSA-N
2003 None Achiral Molecule GEFITINIB
IRESSA
ZD1839
Y
Avapritinib
4 Blueprint Medicines ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
FDA SRS
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 Smiles=C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(cn5ncn4)c6cnn(c6)C)N
InChiKey=DWYRIWUZIJHQKQ-SANMLTNESA-N
2020 None Single Stereoisomer 70C366
AVAPRITINIB
BLU-285
C-366
X-720776
X720776
Y

(*) indicates that the target is not a kinase