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

Latest update: 2019-04-24

Last approved inhibitors: Erdafitinib

New inhibitors this month: Abivertinib, Parsaclisib, Zanubrutinib

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

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 points (°C)
Leniolisib
nan 0 Novartis ChemSpider
ChEMBL
PubChem
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'9NQ' 5o83 nan 0 450.2 2.9 83.5 7 1 5 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 nan Single Stereoisomer
CDZ173-AZ
CDZ173-NX
Oclacitinib
nan 0 Pfizer ChemSpider
ChEMBL
Guide to Pharmacology
FDA SRS
BindingDB
NaN NaN nan 0 337.2 1.5 91 5 2 5 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 nan Single Stereoisomer
JAKI
PF-03394197-11
PF-03394197
Dezapelisib
nan 0 Incyte Corporation ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 421.1 3.7 100.9 8 2 4 nan nan Smiles=Cc1csc2n1c(=O)c(c(n2)[C@H](C)Nc3c4c([nH]cn4)ncn3)c5cccc(c5)F
InChiKey=RSIWALKZYXPAGW-NSHDSACASA-N
nan nan Single Stereoisomer
INCB040093
Mavelertinib
nan 0 Pfizer ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 415.2 0.7 115 10 2 6 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 nan Single Stereoisomer
PF-06747775
Toceranib
nan 0 Pfizer ChemSpider
ChEMBL
PubChem
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 396.2 3.1 77.2 3 3 5 nan KIT KIT Smiles=Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)/C=C\3/c4cc(ccc4NC3=O)F
InChiKey=SRSGVKWWVXWSJT-ATVHPVEESA-N
nan nan Achiral Molecule
PHA-291639
PHA-291639E
Nemiralisib
nan 0 GlaxosmithKline ChemSpider
ChEMBL
PubChem
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'VVX' 5ae8 nan 0 440.2 4.9 77 5 2 5 nan nan Smiles=CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cccc6c5cc[nH]6
InChiKey=MCIDWGZGWVSZMK-UHFFFAOYSA-N
nan nan Single Stereoisomer
GSK2269557H
Pexidartinib
nan 1 Daiichi Sankyo ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'P31' 4r7h 2 1 417.1 5.2 66.5 4 2 5 nan FLT3
KIT
CSF1R
Tyr Smiles=c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(nc4)C(F)(F)F
InChiKey=JGWRKYUXBBNENE-UHFFFAOYSA-N
nan nan Achiral Molecule PLX3397
FP-113
PLX3397 HCl
CML-261
PLX3397
Recilisib
nan 1 Onconova Therapeutics ChemSpider
ChEMBL
PubChem
ZINC
FDA SRS
NaN NaN nan 0 336 3.6 71.4 3 1 5 nan nan Smiles=c1cc(ccc1CS(=O)(=O)/C=C/c2ccc(cc2)C(=O)O)Cl
InChiKey=KBEKQQJUNVQLDZ-MDZDMXLPSA-N
nan nan Achiral Molecule
ON-01210
ON-01210.Na
Panulisib
nan 1 Piramal Enterprises ChemSpider
PubChem
Guide to Pharmacology
ZINC
NaN NaN nan 1 527.2 4.8 134.5 9 1 3 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 nan Single Stereoisomer
Mubritinib
nan 1 Takeda ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 1 468.2 6.1 66 6 0 10 nan EGFR
ERBB2
Tyr Smiles=c1cc(ccc1CCCCn2ccnn2)OCc3coc(n3)/C=C/c4ccc(cc4)C(F)(F)F
InChiKey=ZTFBIUXIQYRUNT-MDWZMJQESA-N
nan nan Achiral Molecule
TAK-165
Altiratinib
nan 1 Deciphera Pharmaceuticals ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 1 510.2 5 109.4 5 3 8 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 nan Achiral Molecule
DP-5164
DCC-2701
Pexmetinib
nan 1 Array BioPharma ChemSpider
PubChem
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 2 556.3 6.1 106.2 7 3 8 nan MAPK14
TEK
Tyr
CMGC
Smiles=Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCc3cc(ccc3Oc4ccc5c(c4)cnn5CCO)F
InChiKey=LNMRSSIMGCDUTP-UHFFFAOYSA-N
nan nan Single Stereoisomer
Ravoxertinib
nan 1 Genentech ChemSpider
ChEMBL
PubChem
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'6QB' 5k4i 5k4j nan 0 440.1 3.2 97.9 8 2 6 nan nan Smiles=Cn1c(ccn1)Nc2nccc(n2)c3ccn(c(=O)c3)[C@H](CO)c4ccc(c(c4)F)Cl
InChiKey=RZUOCXOYPYGSKL-GOSISDBHSA-N
nan nan Single Stereoisomer
GDC-0994
RG-7842
Cenisertib
nan 1 EMD Serono ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 451.2 2.5 99.4 7 3 6 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 nan Racemic Mixture
R-763
Selatinib
nan 1 Qilu Pharmaceutical ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
BindingDB
NaN NaN nan 2 564.1 6.5 89.3 7 2 11 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
Omipalisib
nan 1 GlaxosmithKline ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'ZIG' 3l08 1 1 505.1 4.8 107 7 1 6 nan PIK3CA
MTOR
Atypical Smiles=COc1c(cc(cn1)c2ccc3c(c2)c(ccn3)c4ccnnc4)NS(=O)(=O)c5ccc(cc5F)F
InChiKey=CGBJSGAELGCMKE-UHFFFAOYSA-N
nan nan Achiral Molecule
GSK2126458
Tafetinib
nan 1 Nanjing Yoko Biomedical ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 424.2 3.7 77.2 3 3 6 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 nan nan
Henatinib
nan 1 Jiangsu Hengrui Medicine ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 468.2 2 97.9 5 3 5 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 nan Single Stereoisomer
Allitinib
nan 1 Allist Pharmaceuticals ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
NaN NaN nan 1 448.1 5.9 76.1 5 2 7 nan ERBB2
EGFR
Tyr Smiles=C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)OCc4cccc(c4)F
InChiKey=MVZGYPSXNDCANY-UHFFFAOYSA-N
nan nan nan
Balamapimod
nan 1 Wyeth ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 2 573.2 6.5 82.2 9 1 7 nan RAF1
MAP2K1
MAP2K2
STE
TKL
Smiles=Cn1ccnc1Sc2ccc(cc2Cl)Nc3c4cc(c(cc4ncc3C#N)N5CCC(CC5)N6CCCC6)OC
InChiKey=CVAKNHIXTWLGJO-UHFFFAOYSA-N
nan nan Achiral Molecule
MKI-833
Ningetinib
nan 1.5 HEC Pharm ChemSpider
ChEMBL
PubChem
ZINC
BindingDB
NaN NaN nan 2 556.2 5.4 107.6 8 2 8 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
NINGETINIB
Vactosertib
nan 1.5 MedPacto ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 399.2 4.2 83.8 6 2 5

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 nan nan
Neflamapimod
nan 2 EIP Pharma ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'52P' 3fc1 3hp5 3zsi nan 1 435 5.5 47.3 5 0 3 nan MAPK14 CMGC Smiles=c1cc(c(c(c1)Cl)c2c3ccc(nn3cnc2=O)Sc4ccc(cc4F)F)Cl
InChiKey=VEPKQEUBKLEPRA-UHFFFAOYSA-N
nan nan Achiral Molecule VRT-031745
745
VX-745
VD-31
Solcitinib
nan 2 GlaxoSmithKline ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 389.2 3.2 79.6 5 1 4 nan JAK1 Tyr Smiles=CC1(CN(C1)C(=O)c2ccc(cc2)c3cccc4n3nc(n4)NC(=O)C5CC5)C
InChiKey=MPYACSQFXVMWNO-UHFFFAOYSA-N
nan nan Achiral Molecule
GLPG-0788
GSK2586184A
GLPG-0778
G-154578
Berzosertib
nan 2 Vertex Pharmaceuticals ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 463.2 3.9 124 8 2 7 nan nan Smiles=CC(C)S(=O)(=O)c1ccc(cc1)c2cnc(c(n2)c3cc(no3)c4ccc(cc4)CNC)N
InChiKey=JZCWLJDSIRUGIN-UHFFFAOYSA-N
nan nan Achiral Molecule
VX-970
Afuresertib
nan 2 GlaxoSmithKline ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 426 3.9 72.9 5 2 6 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 nan Single Stereoisomer
GSK2110183B
GSK2110183C
Spebrutinib
nan 2 Celgene ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 423.2 4.3 97.4 7 3 10 nan BTK Tyr Smiles=COCCOc1ccc(cc1)Nc2ncc(c(n2)Nc3cccc(c3)NC(=O)C=C)F
InChiKey=KXBDTLQSDKGAEB-UHFFFAOYSA-N
nan nan Achiral Molecule
CC-292
AVL-292
Apitolisib
nan 2 Hoffmann-La Roche ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'980' 3tl5 nan 1 498.2 0.9 133.8 11 2 5 nan PIK3CA
MTOR
Atypical Smiles=Cc1c(sc2c1nc(nc2N3CCOCC3)c4cnc(nc4)N)CN5CCN(CC5)C(=O)[C@H](C)O
InChiKey=YOVVNQKCSKSHKT-HNNXBMFYSA-N
nan nan Single Stereoisomer
G-038390.1
GDC-0980
GDC-0980.1
G-038390
RG-7422
Milciclib
nan 2 Nerviano Medical Sciences ChemSpider
ChEMBL
PubChem
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'P48' 2wih 5vc6 5vd1 1 0 460.3 2.6 91.2 8 2 4 nan CDK1
NTRK1
Tyr
CMGC
Smiles=CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4ccc(cc4)N5CCN(CC5)C)C
InChiKey=RXZMYLDMFYNEIM-UHFFFAOYSA-N
nan nan Achiral Molecule
PHA-848125
Rabusertib
nan 2 Eli Lilly ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 435.1 2.9 97.4 6 3 5 nan CHEK1 CAMK Smiles=Cc1cc(c(cc1Br)NC(=O)Nc2cnc(cn2)C)OC[C@@H]3CNCCO3
InChiKey=SYYBDNPGDKKJDU-ZDUSSCGKSA-N
nan nan Single Stereoisomer
IC-83
LY-2603618
Verosudil
nan 2 Aerie Pharmaceutical ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
NaN NaN nan 0 327.1 2.8 65.2 4 2 4 nan nan Smiles=CN(C)C(c1ccsc1)C(=O)Nc2ccc3c(c2)cc[nH]c3=O
InChiKey=VDYRZXYYQMMFJW-UHFFFAOYSA-N
nan nan Racemic Mixture
AR-12286
Cerdulatinib
nan 2 Portola pharmaceuticals ChemSpider
PubChem
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 445.2 1.4 133.6 8 3 8 nan JAK1
SYK
Tyr Smiles=CCS(=O)(=O)N1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC4CC4)C(=O)N
InChiKey=BGLPECHZZQDNCD-UHFFFAOYSA-N
nan nan Single Stereoisomer
PRT-062070
Sapitinib
nan 2 Astrazeneca ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 473.2 3.8 88.6 7 2 7 nan EGFR
ERBB2
ERBB4
ERBB3
Tyr Smiles=CNC(=O)CN1CCC(CC1)Oc2cc3c(cc2OC)ncnc3Nc4cccc(c4F)Cl
InChiKey=DFJSJLGUIXFDJP-UHFFFAOYSA-N
nan nan Achiral Molecule
AZD-8931
Tozasertib
nan 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 1 0 464.2 3.5 102.1 8 3 7 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 nan Achiral Molecule
VX-68
MK-045
MK-0457
VX-680
Silmitasertib
nan 2 Senhwa Biosciences ChemSpider
ChEMBL
PubChem
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'3NG' 3nga 3pe1 5o11 6fyl 6fyp 6fyv 6hmb 1 0 349.1 4.9 75.1 4 2 3 nan CSNK2A1
CSNK2A2
Other Smiles=c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O
InChiKey=MUOKSQABCJCOPU-UHFFFAOYSA-N
nan nan Achiral Molecule
CX-4945
Tanzisertib
nan 2 Celgene ChemSpider
ChEMBL
DrugBank
RCSB
PDBe
ZINC
FDA SRS
BindingDB
'KBI' 3tti 1 0 448.2 3.7 97.1 8 3 5 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 nan Single Stereoisomer
CC-930
JNK-930
Acumapimod
nan 2 Mereo BioPharma ChemSpider
PubChem
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 385.2 2.8 113.8 6 2 5 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 nan Single Stereoisomer
Prexasertib
nan 2 Eli Lilly ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 365.2 2.2 134.8 8 3 8 nan CHEK1
CHEK2
CAMK Smiles=COc1cccc(c1c2cc(n[nH]2)Nc3cnc(cn3)C#N)OCCCN
InChiKey=DOTGPNHGTYJDEP-UHFFFAOYSA-N
nan nan Achiral Molecule PREXASERTIB
LY2606368
LY-2606368
Bentamapimod
nan 2 PregLem ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
NaN NaN nan 0 457.2 4.2 84.2 8 0 7 nan MAPK8
MAPK9
CMGC Smiles=N#CC(c1nc2ccccc2s1)c5nc(OCc3ccc(cc3)CN4CCOCC4)ncc5
InChiKey=XCPPIJCBCWUBNT-UHFFFAOYSA-N
nan nan Racemic Mixture
PGL-5001
Infigratinib
nan 2 Novartis ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'07J' 3tt0 1 2 559.2 5.4 95.1 8 2 8 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 nan nan
Foretinib
nan 2 GlaxoSmithKline ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'88Z' 3lq8 5ia4 6i2y 2 2 632.2 5.8 111.2 8 2 12 nan MET
KDR
Tyr Smiles=COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F
InChiKey=CXQHYVUVSFXTMY-UHFFFAOYSA-N
nan nan Achiral Molecule EXEL-2880
FORETINIB
GSK089
XL-880
GSK-1363089
GSK1363089G
Gedatolisib
nan 2 Pfizer ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 1 615.3 3 128.3 10 2 7 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 nan Achiral Molecule PKI-587
PF-05212384
PKI-587
Tamatinib
nan 2 Rigel Pharmaceuticals ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'585' 3fqs 3piy 1 0 470.2 3.6 128.8 10 3 7 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
Amuvatinib
nan 2 Supergen ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 447.1 3.3 75.9 7 1 3

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 nan Achiral Molecule AMUVATINIB
HPK56
MP-470
HPK-56
MP-470.HCl
Avitinib
nan 2 Hangzhou ACEA Pharmaceutical Research ChemSpider
PubChem
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 487.2 4.5 98.4 7 3 7 nan nan Smiles=CN1CCN(CC1)c2ccc(cc2F)Nc3nc4c(cc[nH]4)c(n3)Oc5cccc(c5)NC(=O)C=C
InChiKey=UOFYSRZSLXWIQB-UHFFFAOYSA-N
nan nan nan
AC0010
Abivertinib
nan 3 ACEA Biosciences ChemSpider
PubChem
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 487.2 4.5 98.4 7 3 7

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 nan nan
Adavosertib
nan 2 Astrazeneca ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
'8X7' 5v5y 5vd0 5vdk 1 1 500.3 2.9 104.3 10 2 7 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 nan nan
AZD1775
K-1775
AZD-1775
K1775
Amcasertib
nan 2 Boston Biomedical ChemSpider
ChEMBL
PubChem
ZINC
FDA SRS
NaN NaN nan 2 539.2 6 90.1 5 3 9 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 nan Achiral Molecule BB503
AMCASERTIB
BBI-503
Lucitanib
nan 2 Clovis Oncology ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'3ZC' 4rwl 1 0 443.2 4.4 95.7 6 2 7 nan FLT1
KDR
FLT4
FGFR1
FGFR2
Tyr Smiles=CNC(=O)c1cccc2c1ccc(c2)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC
InChiKey=CUDVHEFYRIWYQD-UHFFFAOYSA-N
nan nan Achiral Molecule E3810
AL3810
S-80881
E-3810
CO-3810
AL-3810
CO-3810
Vistusertib
nan 2 Astrazeneca ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 462.2 2.5 92.7 8 1 4 nan MTOR Atypical Smiles=C[C@H]1COCCN1c2c3ccc(nc3nc(n2)N4CCOC[C@@H]4C)c5cccc(c5)C(=O)NC
InChiKey=JUSFANSTBFGBAF-IRXDYDNUSA-N
nan nan Single Stereoisomer AZD2014
AZD2014
AZD-2014
VISTUSERTIB
Bafetinib
nan 2 Innovive Pharmaceuticals ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'406' 2e2b 2 2 576.3 5.4 99.2 8 2 8 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 nan Single Stereoisomer INNO-406
CNS-9
INNO-406
NS-187
Bemcentinib
nan 2 BerGenBio ChemSpider
ChEMBL
PubChem
DrugBank
ZINC
FDA SRS
BindingDB
NaN NaN nan 1 506.3 4.9 97.8 8 2 4 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 nan nan
BGB324; KEYTRUDA
BEMCENTINIB
Bimiralisib
nan 2 Piqur Therapeutics ChemSpider
PubChem
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
'A3W' 5oq4 nan 0 411.2 1 103.2 8 2 3

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 nan nan
BIMIRALISIB
Capivasertib
nan 2 Astrazeneca ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'0XZ' 4gv1 nan 0 428.2 2.1 120.2 6 4 6 nan AKT1 AGC Smiles=c1cc(ccc1[C@H](CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl
InChiKey=JDUBGYFRJFOXQC-KRWDZBQOSA-N
nan nan nan
AZD5363
Defactinib
nan 2 Verastem ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
'7KD' 5mah 1 1 510.1 2.4 142.1 9 3 8 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 nan Achiral Molecule VS-6063
DEFACTINIB
PF-04554878
Ilorasertib
nan 2 Abbott Laboratories ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 1 488.1 5.2 118.1 7 4 6 nan AURKA
AURKB
AURKC
FLT1
PDGFRA
PDGFRB
Tyr
Other
Smiles=c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N
InChiKey=WPHKIQPVPYJNAX-UHFFFAOYSA-N
nan nan Achiral Molecule A-968660.0
A-968660
ABT-348
Entospletinib
nan 2 Gilead Sciences ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'CG9' 4puz 1 0 411.2 3.9 83.4 7 2 4 nan SYK Tyr Smiles=c1cc(ccc1Nc2c3nccn3cc(n2)c4ccc5cn[nH]c5c4)N6CCOCC6
InChiKey=XSMSNFMDVXXHGJ-UHFFFAOYSA-N
nan nan Achiral Molecule GS-9973
GS-9973 SDD
Evobrutinib
nan 2 Merck ChemSpider
PubChem
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 429.2 4.4 93.4 6 2 7 nan BTK Tyr Smiles=C=CC(=O)N1CCC(CC1)CNc2c(c(ncn2)N)c3ccc(cc3)Oc4ccccc4
InChiKey=QUIWHXQETADMGN-UHFFFAOYSA-N
nan nan nan
EVOBRUTINIB
Glesatinib
nan 2 Mirati Therapeutics ChemSpider
ChEMBL
PubChem
DrugBank
ZINC
FDA SRS
NaN NaN nan 2 619.2 6.2 97.4 8 3 11 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 nan Achiral Molecule MG90265H9
MG90265gly
MG90265
MG90265X
MGCD265
GCD265
Galunisertib
nan 2 Eli Lilly ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 369.2 3.5 86.7 5 1 3 nan TGFBR1 TKL Smiles=Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccnc5c4cc(cc5)C(=O)N
InChiKey=IVRXNBXKWIJUQB-UHFFFAOYSA-N
nan nan Achiral Molecule LY-2157299
LY2157299
Voxtalisib
nan 2 Sanofi ChemSpider
ChEMBL
PubChem
DrugBank
ZINC
FDA SRS
NaN NaN nan 0 270.1 1.1 102.5 6 2 2 nan PIK3CA
MTOR
Atypical Smiles=CCn1c2c(cc(c1=O)c3ccn[nH]3)c(nc(n2)N)C
InChiKey=RGHYDLZMTYDBDT-UHFFFAOYSA-N
nan nan Achiral Molecule
XL-765
SAR-245409
Danusertib
nan 2 Nerviano Medical Sciences ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'627' 2j50 2v7a 4qo9 5i9z 1 0 474.2 2.6 93.8 6 2 6 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 nan Single Stereoisomer
PHA-739358
Telatinib
nan 2 Bayer ChemSpider
ChEMBL
PubChem
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 409.1 4 102.2 7 2 6 nan KDR
FLT4
Tyr Smiles=CNC(=O)c1cc(ccn1)COc2c3c(cco3)c(nn2)Nc4ccc(cc4)Cl
InChiKey=QFCXANHHBCGMAS-UHFFFAOYSA-N
nan nan Achiral Molecule
BAY-579352
Rebastinib
nan 2 Deciphera Pharmaceuticals ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'919' 3qri 3qrj 5g6v 6cnh 6mwe 2 2 553.2 6 123.1 7 3 6 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 nan Achiral Molecule DCC-2036
DP-1919
REBASTINIB
Tandutinib
nan 2 Takeda ChemSpider
ChEMBL
PubChem
DrugBank
ZINC
FDA SRS
BindingDB
NaN NaN nan 2 562.3 5 92.3 8 1 10 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 nan Achiral Molecule CT53518
MLN-518
CT-53518
Ralimetinib
nan 2 Eli Lilly ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 1 420.2 5.6 85.4 5 2 3 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 nan Achiral Molecule LSN-2322600
LY-2228820 dimesylate
ARGET THERAPY
LY-22288220
RALIMETINIB
Doramapimod
nan 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 2 527.3 6 80.7 6 2 7 nan MAPK14 CMGC Smiles=Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCN5CCOCC5
InChiKey=MVCOAUNKQVWQHZ-UHFFFAOYSA-N
nan nan Achiral Molecule
BIRB-796
Poziotinib
nan 2 Hanmi Pharmaceutical ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 1 490.1 5.4 76.6 6 1 6 nan EGFR Tyr Smiles=COc1cc2c(cc1OC3CCN(CC3)C(=O)C=C)c(ncn2)Nc4ccc(c(c4F)Cl)Cl
InChiKey=LPFWVDIFUFFKJU-UHFFFAOYSA-N
nan nan Achiral Molecule HM781-36B
NOV-120101
POZIOTINIB
Pimasertib
nan 2 Merck ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 431 1.7 94.5 5 4 6 nan MAP2K1
MAP2K2
STE Smiles=c1cc(c(cc1I)F)Nc2cnccc2C(=O)NC[C@@H](CO)O
InChiKey=VIUAUNHCRHHYNE-JTQLQIEISA-N
nan nan Single Stereoisomer EMD 1036239
PIMASERTIB
AS-703026
MSC-1936369B
SC1936369B
Tarloxotinib
nan 2 Threshold Pharmaceuticals ChemSpider
PubChem
FDA SRS
NaN NaN nan 1 679 1.6 140.8 9 2 9 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 nan nan
Ripasudil
nan 2 Kowa Pharmaceutical ChemSpider
ChEMBL
PubChem
DrugBank
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 323.1 1.7 62.3 4 1 2 nan nan Smiles=C[C@H]1CNCCCN1S(=O)(=O)c2cccc3c2c(cnc3)F
InChiKey=QSKQVZWVLOIIEV-NSHDSACASA-N
nan nan nan
RIPASUDIL
Tesevatinib
nan 2 Kadmon Corporation ChemSpider
ChEMBL
DrugBank
ZINC
FDA SRS
NaN NaN nan 1 490.1 5.8 59.5 6 1 6 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 nan Racemic Mixture KD-019
KD-020
KD019, XL647
XL647
KD019
Tomivosertib
nan 2 Effector Therapeutics ChemSpider
PubChem
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
'N45' 6ck6 nan 0 340.2 1.6 114.9 7 3 2

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 nan nan
NK1 AND MNK2
Tucatinib
nan 2 Array BioPharma ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 1 480.2 5.1 110.9 10 2 5 nan ERBB2 Tyr Smiles=Cc1cc(ccc1Oc2ccn3c(c2)ncn3)Nc4c5cc(ccc5ncn4)NC6=NC(CO6)(C)C
InChiKey=SDEAXTCZPQIFQM-UHFFFAOYSA-N
nan nan Achiral Molecule ONT-380
ARRY-380
Acalisib
nan 2 Gilead Sciences ChemSpider
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 401.1 3.4 101.4 7 2 4 nan PIK3CA Atypical Smiles=C[C@@H](c1nc2ccc(cc2c(=O)n1c3ccccc3)F)Nc4c5c(nc[nH]5)ncn4
InChiKey=DOCINCLJNAXZQF-LBPRGKRZSA-N
nan nan Single Stereoisomer
CAL-120
Uprosertib
nan 2 GlaxoSmithKline ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 428.1 3.6 86.1 5 2 6 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 nan Single Stereoisomer GSK2141795C
GSK2141795
Pelitinib
nan 2 Wyeth ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'93J' 5vcw 1 1 467.2 5.1 90.3 6 2 8 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 nan Achiral Molecule WAY-EKB-569
EKB-569
EKB-569
Parsaclisib
nan 2 Incyte Corporation ChemSpider
PubChem
Guide to Pharmacology
FDA SRS
NaN NaN nan 0 432.1 3.1 107.9 7 2 5

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 nan nan
INCB050465
Olmutinib
nan 2 Hanmi Pharmaceutical ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 1 486.2 5.1 82.6 8 2 7 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 nan Achiral Molecule HM61713
BI 1482694
OLMUTINIB
BI1482694CL2
Trilaciclib
nan 2 G1 Therapeutics ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 446.3 2.7 91.2 8 2 3 nan CDK4
CDK6
CMGC Smiles=CN1CCN(CC1)c2ccc(nc2)Nc3ncc4cc5n(c4n3)C6(CCCCC6)CNC5=O
InChiKey=PDGKHKMBHVFCMG-UHFFFAOYSA-N
nan nan Achiral Molecule
G1T28
Pictilisib
nan 2 Hoffmann-La Roche ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'GD9' 2wxp 2y3a 3dbs 1 1 513.2 2.1 107.6 9 1 5 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 nan Achiral Molecule GDC-0941
Sotrastaurin
nan 2 Novartis ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'LW4' 3iw4 nan 0 438.2 2.4 94.2 6 2 3 nan nan Smiles=CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6
InChiKey=OAVGBZOFDPFGPJ-UHFFFAOYSA-N
nan nan Achiral Molecule NVP-AEB071
AEB071
AEB-071
SOTRASTAURIN
Ulixertinib
nan 2 BioMed Valley Discoveries ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
'EVK' 6gdq nan 0 432.1 4.7 90 4 4 7 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 nan Single Stereoisomer BVD-523
VRT-752271
VRT752271
Seliciclib
nan 2 Cyclacel pharmaceuticals ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'RRC' 1unl 1ygk 2a4l 3ddq 1 0 354.2 3.2 87.9 7 3 8 nan CDK2
CDK7
CDK9
CMGC Smiles=CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1
InChiKey=BTIHMVBBUGXLCJ-OAHLLOKOSA-N
nan nan Single Stereoisomer AL-39256
R-ROSCOTIVINE
CYC202
CYC-202
SELICICLIB
Refametinib
nan 2 Bayer ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
'VRA' 3e8n nan 1 572 3.5 107.9 6 4 9 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 nan Single Stereoisomer RDEA-119
BAY 86-9766
REFAMETINIB;
RDEA119;
Merestinib
nan 2 Eli Lilly ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'L1X' 4eev 2 2 552.2 5.7 106.8 7 2 6 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 nan Achiral Molecule
LY-2801653
Pamapimod
nan 2 Hoffmann-La Roche ChemSpider
ChEMBL
PubChem
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'FLW' 3flw 1 0 406.1 1.9 109.5 8 3 8 nan MAPK14
MAPK11
CMGC Smiles=Cn1c2c(cc(c1=O)Oc3ccc(cc3F)F)cnc(n2)NC(CCO)CCO
InChiKey=JYYLVUFNAHSSFE-UHFFFAOYSA-N
nan nan Achiral Molecule
JTT-705
R-1503
Ro-4402257
Dilmapimod
nan 2 GlaxoSmithKline ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 456.1 2.9 100.3 7 3 6

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 nan Achiral Molecule
SB-681323
SB-681323-T
Dactolisib
nan 2 Novartis ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 1 469.2 5.9 76.5 6 0 3 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 nan Achiral Molecule
NVP-BEZ235-ANA
NVP-BEZ235-NX
NVP-BEZ235
Selonsertib
nan 2 Gilead Sciences ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 445.2 4.7 90.5 7 1 6 nan MAP3K5 STE Smiles=Cc1cc(c(cc1n2cc(nc2)C3CC3)C(=O)Nc4cccc(n4)c5nncn5C(C)C)F
InChiKey=YIDDLAAKOYYGJG-UHFFFAOYSA-N
nan nan Achiral Molecule
GS-4997
Talmapimod
nan 2 Scios inc ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'469' 3hub 3zsh 1 1 512.2 4 65.9 5 0 5 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 nan Single Stereoisomer
SCIO-469
Pilaralisib
nan 2 Sanofi ChemSpider
ChEMBL
PubChem
DrugBank
ZINC
FDA SRS
BindingDB
NaN NaN nan 1 540.1 4.5 148.3 8 4 8 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 nan Achiral Molecule
SAR-245408
XL-147
Gandotinib
nan 2 Eli Lilly ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 469.2 4 83.4 7 2 6 nan JAK2 Tyr Smiles=Cc1cc(n[nH]1)Nc2cc(c3nc(c(n3n2)Cc4ccc(cc4F)Cl)C)CN5CCOCC5
InChiKey=SQSZANZGUXWJEA-UHFFFAOYSA-N
nan nan Achiral Molecule
LY-2784544
Decernotinib
nan 2 Vertex Pharmaceuticals ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'VJK' 4yti 1 0 392.2 3.3 95.6 5 3 6 nan JAK3 Tyr Smiles=CC[C@](C)(C(=O)NCC(F)(F)F)Nc1ccnc(n1)c2c[nH]c3c2cccn3
InChiKey=ASUGUQWIHMTFJL-QGZVFWFLSA-N
nan nan Single Stereoisomer
VRT-831509
VX-509
Sapanisertib
nan 2 Takeda ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 309.1 2.4 121.7 8 2 2 nan MTOR Atypical Smiles=CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(ncn2)N
InChiKey=GYLDXIAOMVERTK-UHFFFAOYSA-N
nan nan Achiral Molecule LN0128
TAK-228
LN-0128
INK128
SAPANISERTIB
INK-128
AK-228
MLN-0128
Golvatinib
nan 2 Eisai ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'GV0' 5ia5 2 1 633.3 4.8 119.1 7 3 8 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 nan Achiral Molecule
E7050
ER-396901-08
Rogaratinib
nan 2 Bayer ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
FDA SRS
BindingDB
NaN NaN nan 0 466.2 2.6 107 9 2 6 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 nan nan BAY 1163877
Roniciclib
nan 2 Bayer ChemSpider
PubChem
DrugBank
ZINC
FDA SRS
NaN NaN nan 0 430.1 4 108.2 7 3 7 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 nan Single Stereoisomer
Riviciclib
nan 2 Piramal Enterprises ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 401.1 3.3 94.1 6 3 3 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 nan Racemic Mixture
Tepotinib
nan 2 Merck ChemSpider
ChEMBL
PubChem
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'3E8' 4r1v 1 0 492.2 4 96.9 8 0 7 nan MET Tyr Smiles=CN1CCC(CC1)COc2cnc(nc2)c3cccc(c3)Cn4c(=O)ccc(n4)c5cccc(c5)C#N
InChiKey=AHYMHWXQRWRBKT-UHFFFAOYSA-N
nan nan Achiral Molecule MSC-2156119J
EMD 1214063
EPOTINIB
MSC-2156119
Voruciclib
nan 2 Piramal Enterprises ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 469.1 4.3 94.1 6 3 3 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 nan Single Stereoisomer
Sonolisib
nan 2 Cascadian Therapeutics ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 1 525.2 3.1 119.4 9 1 8 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 nan Single Stereoisomer
PX-866
Entrectinib
nan 2.5 Ignyta ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'YMX' 5fto 5kvt 1 2 560.3 5 85.5 6 3 7 nan 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
nan nan Achiral Molecule RXDX-101
NMS-E628
RO7102122
Varlitinib
nan 2.5 Array Biopharma ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 1 466.1 5.2 93.5 9 2 6 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 nan Single Stereoisomer ARRY-334543
ASLAN-001
SPS4370
ASLAN001
QBT01
ARRY-543
ARRY-334543
AR-00334543
Cediranib
nan 3 Astrazeneca ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 1 450.2 5.2 72.5 6 1 8 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 nan Achiral Molecule 288383-20-0
RECENTIN™.
CEDIRANIB
AZD-2171
AZD2171 MALEATE
RECENTIN
ZD-2171
AZD2171
Naquotinib
nan 3 Astellas Pharma ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'8RC' 5y9t nan 1 562.3 2.3 120.2 9 2 9 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 nan Single Stereoisomer ASP-8273 mesilate
ASP8273
Itacitinib
nan 3 Incyte Corporation ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 1 553.2 3.6 119.6 8 1 5 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 nan Achiral Molecule INCB039110
INCB-039110 adipate
INCB039110
ITACITINIB
Pacritinib
nan 3 Cell Therapeutics ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'6T3' 5lbz nan 0 472.2 5 68.7 7 1 4 nan JAK2 Tyr Smiles=c1cc2cc(c1)-c3ccnc(n3)Nc4ccc(c(c4)COC/C=C/COC2)OCCN5CCCC5
InChiKey=HWXVIOGONBBTBY-ONEGZZNKSA-N
nan nan Achiral Molecule SB1518
ONX-0803
PAC
Masitinib
nan 3 AB Science ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'G65' 5mql nan 1 498.2 5.3 73.4 7 2 7 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 nan Achiral Molecule AB-1010
AB1010
ASITINIB
Rigosertib
nan 3 Onconova Therapeutics ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'6FS' 5j18 5j2r 5ov7 3 0 451.1 2.8 120.4 8 2 11 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 nan Achiral Molecule CAMPTOTHECIN-11
OXALATOPLATIN
ON 01910
SYB L-1101
ORAL RIGOSERTIB
OXALOPLATINU
CAMPOSTAR
IRINOTECAN HCL
ELOXATIN
U-101440E
RIGOSERTIB SODIU
ON 01910.NA
IRINOTECAN
CAMPTOSAR
CPT-11
ON-01910
RIGOSERTIB
Rociletinib
nan 3 Clovis Oncology ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'8JC' 5xdk 5xdl 1 1 555.2 4.8 111.7 8 3 8 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 nan Achiral Molecule CNX-419
AVL-301
CO-1686
Ruboxistaurin
nan 3 Eli Lilly ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'LY4' 1uu3 2j2i nan 0 468.2 3.5 68.5 6 1 2 nan nan Smiles=CN(C)C[C@@H]1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O
InChiKey=ZCBUQCWBWNUWSU-SFHVURJKSA-N
nan nan Single Stereoisomer LY333531
LY-333531
ARXXAN
Lestaurtinib
nan 3 Cephalon ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 439.2 3.5 88.7 6 3 1 nan FLT3 Tyr Smiles=C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
InChiKey=UIARLYUEJFELEN-LROUJFHJSA-N
nan nan Single Stereoisomer KT-555
A-1544750
CEP-701
A-154475
SPM-924
SP-924
LESTAURTINIB
KT-5555
SP924
Orantinib
nan 3 Pfizer ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'SU6' 4jlc 5yvc 1 0 310.1 3.1 82.2 2 3 4 nan KDR
PDGFRB
FGFR1
Tyr Smiles=Cc1c(c([nH]c1/C=C\2/c3ccccc3NC2=O)C)CCC(=O)O
InChiKey=NHFDRBXTEDBWCZ-ZROIWOOFSA-N
nan nan Achiral Molecule SUGEN SU6668
SU-6668
SU6668
TSU-68
SU006668
SU 68
Saracatinib
nan 3 Astrazeneca ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'H8H' 2h8h 4qmx 5vcx 5vd3 1 1 541.2 3.9 90.4 10 1 8 nan SRC
ABL1
Tyr Smiles=CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl
InChiKey=OUKYUETWWIPKQR-UHFFFAOYSA-N
nan nan Achiral Molecule AZD-0530
AZD0530
AZD-0530 difumarate
AZ-10353926
Savolitinib
nan 3 Astrazeneca ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'V0L' 5lbw nan 0 345.1 1.9 91.6 9 0 3 nan MET Tyr Smiles=C[C@@H](c1ccc2nccn2c1)n3c4c(ncc(n4)c5cnn(c5)C)nn3
InChiKey=XYDNMOZJKOGZLS-NSHDSACASA-N
nan nan Single Stereoisomer AZD6094
HMPL - 504
SAVOLITINIB
AZD6094
HMPL-504
Selumetinib
nan 3 Astrazeneca ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'3EW' 4u7z 3 0 456 3.5 88.4 6 3 6 nan MAP2K1
MAP2K2
STE Smiles=Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
InChiKey=CYOHGALHFOKKQC-UHFFFAOYSA-N
nan nan Achiral Molecule AZD-6244
AZD-6244 HYD-SULFATE
ARRY-886
AZD-6244 Hydrogen sulfate
HYD-SULFATE AZD6244
AZD6244
ARRY-142886
ARRY-142886
SELUMETINIB
Linifanib
nan 3 Abbott Laboratories ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 375.1 4.9 95.8 3 4 3 nan FLT3
CSF1R
KDR
Tyr Smiles=Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F
InChiKey=MPVGZUGXCQEXTM-UHFFFAOYSA-N
nan nan Achiral Molecule ABT-869
ABT-869
RG-3635
AL-39324
Semaxanib
nan 3 Sugen ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'X2M' 2x2m 1 0 238.1 3.1 44.9 1 2 1 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 nan Achiral Molecule SU-5416
SUGEN 5416
SEMOXIND
SU5416
Nazartinib
nan 3 Novartis ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 494.2 4.3 83.4 6 1 6 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 nan nan
NAZARTINIB
Pyrotinib
nan 3 Hengrui Therapeutics ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 2 582.2 6.5 112.4 8 2 10 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 nan Single Stereoisomer
SHR1258
Tivantinib
nan 3 Daiichi Sankyo ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'TIV' 5cb4 nan 0 369.1 3.6 66.9 3 2 2 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 nan Single Stereoisomer IVANTINIB
ARQ197
ARQ-197
Fruquintinib
nan 3 Hutchison MediPharma ChemSpider
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 393.1 3.9 95.7 7 1 5 nan FLT1
KDR
FLT4
Tyr Smiles=Cc1c(c2ccc(cc2o1)Oc3c4cc(c(cc4ncn3)OC)OC)C(=O)NC
InChiKey=BALLNEJQLSTPIO-UHFFFAOYSA-N
nan nan Single Stereoisomer
HMP-013
Ipatasertib
nan 3 Hoffmann-La Roche ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'0RF' 4ekl 1 0 457.2 3.1 81.6 6 2 6 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 nan Single Stereoisomer GDC-0068
RG-7440
Momelotinib
nan 3 Ym Biosciences Australia ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'C87' 6fdz nan 0 414.2 3 103.2 7 2 6 nan JAK1
JAK2
JAK3
Tyr Smiles=c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)C(=O)NCC#N
InChiKey=ZVHNDZWQTBEVRY-UHFFFAOYSA-N
nan nan Achiral Molecule GS-0387
CYT387
CYT-387
GS-0387
CYT-11387
OMELOTINIB
Taselisib
nan 3 Hoffmann-La Roche ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'799' 5t8f 1 0 460.2 3.2 118.7 9 1 5 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 nan Racemic Mixture GDC-0032
GDC-0032
RG-7604
RO5537381
GDC-0032, RO5537381
Radotinib
nan 3 Il-Yang Pharmaceutical ChemSpider
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 2 530.2 5.8 110.5 8 2 6

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 nan nan
IY5511HCL
SUPEC
Linsitinib
nan 3 Osi Pharmaceuticals ChemSpider
ChEMBL
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 421.2 4.8 89.3 6 2 3 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 nan Single Stereoisomer OSI-906
OSI-906AA
ASP-7487
OSI-906
Quizartinib
nan 3 Ambit Biosciences ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'P30' 4rt7 4xuf 2 2 560.2 5.9 106.2 9 2 7 nan FLT3
CSF1R
KIT
Tyr Smiles=CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c5ccc(cc5sc4n3)OCCN6CCOCC6
InChiKey=CVWXJKQAOSCOAB-UHFFFAOYSA-N
nan nan Achiral Molecule QUIZARTINIB
AC010220
ASP-2689
AC220
AC010220.2HCl
AC220
EST PRODUC
ASP2689
Losmapimod
nan 3 GlaxoSmithKline ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 383.2 3.9 71.1 3 2 5 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 nan Achiral Molecule GW856553
GW856553X
GSKAHAB
Brivanib
nan 3 Bristol Myers Squibb ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 370.1 3.5 84.7 6 2 5 nan KDR Tyr Smiles=Cc1cc2c([nH]1)ccc(c2F)Oc3c4c(c(cn4ncn3)OC[C@@H](C)O)C
InChiKey=WCWUXEGQKLTGDX-LLVKDONJSA-N
nan nan Single Stereoisomer BMS-582664
Sitravatinib
nan 3 Mirati Therapeutics ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 2 629.2 6.5 114.5 8 3 12 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 nan Achiral Molecule SITRAVATINIB
MGCD516
GCD516
Alvocidib
nan 3 Sanofi ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'CPB' 1c8k 1e1y 3blr 3ebp 4o71 nan 0 401.1 3.3 94.1 6 3 2 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 nan Single Stereoisomer ALVOCIDIB
HMR 1275
HMR-1275
L-86-8275
FLAVO
DL-107826A
HL-275
L-86-8275
HMR1275
DL 107,826A
NSC-649890
FLAVOPIRIDOL
L-868275
MDL-107826A
HL-275
DSP-2033
L-868275
Zanubrutinib
nan 3 BeiGene ChemSpider
ChEMBL
PubChem
BindingDB
NaN NaN nan 0 471.2 4.2 102.5 6 2 6

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
nan nan nan
BGB-3111
ZANUBRUTINIB
Simotinib
nan 3 Advenchen Laboratories ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 1 500.2 4.4 78 8 1 7 nan EGFR Tyr Smiles=COc1cc2c(cc1OCCN3CC4(CC4)C5(C3)OCCO5)c(ncn2)Nc6ccc(c(c6)Cl)F
InChiKey=OXWUWXCJDBRCCG-UHFFFAOYSA-N
nan nan nan
Dinaciclib
nan 3 Schering-Plough ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 396.2 2.3 92.6 7 2 7 nan CDK4
CDK6
BRDT
CMGC
(*)
Smiles=CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)[O-])N4CCCC[C@H]4CCO
InChiKey=PIMQWRZWLQKKBJ-SFHVURJKSA-N
nan nan Single Stereoisomer K-7965
SCH 727965
SCH-727965
Enzastaurin
nan 3 Eli Lilly ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 1 515.2 4.9 72.2 6 1 5 nan nan Smiles=Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7
InChiKey=AXRCEOKUDYDWLF-UHFFFAOYSA-N
nan nan Achiral Molecule LY-317615
LY317615
Erdafitinib
Balversa 4 Janssen ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
'5SF' 5ew8 1 0 446.2 4.2 77.3 8 1 9 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 nan Achiral Molecule JNJ-42756493 Y
Volasertib
nan 3 Boehringer Ingelheim ChemSpider
ChEMBL
DrugBank
RCSB
PDBe
Guide to Pharmacology
FDA SRS
BindingDB
'IBI' 3fc2 5v67 5vbr 1 1 618.4 4.3 106.2 9 2 10 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 nan Single Stereoisomer BI-6727-CL3
BI-6727
BI 6727
Motesanib
nan 3 Amgen ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'706' 3efl 2 0 373.2 4 78.9 5 3 5 nan FLT1
KDR
FLT4
PDGFRA
PDGFRB
KIT
RET
Tyr Smiles=CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
InChiKey=RAHBGWKEPAQNFF-UHFFFAOYSA-N
nan nan Achiral Molecule AMG-706
AMG 706
Filgotinib
nan 3 Galapagos ChemSpider
ChEMBL
PubChem
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'2HB' 4p7e 5ut5 1 0 425.2 2 96.7 7 1 5 nan JAK1 Tyr Smiles=c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5
InChiKey=RIJLVEAXPNLDTC-UHFFFAOYSA-N
nan nan Achiral Molecule
G-146034_101
G-146034
GLPG-0634
Upadacitinib
nan 3 Abbvie ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 380.2 2.9 78.3 4 2 3 nan JAK1 Tyr Smiles=CC[C@@H]1CN(C[C@@H]1c2cnc3n2c4cc[nH]c4nc3)C(=O)NCC(F)(F)F
InChiKey=WYQFJHHDOKWSHR-MNOVXSKESA-N
nan nan Single Stereoisomer ABT-494
UPADACITINIB
Umbralisib
nan 3 TG Therapeutics ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 2 571.2 6.7 109.1 8 1 6 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 nan Single Stereoisomer TGR-1202
GR-1202
RP-5307
RP-5264
TGR-1202 base
Alisertib
nan 3 Millennium Pharmaceuticals ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'A5B' 5ia0 1 2 518.1 5.7 105.9 7 2 6 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 nan Achiral Molecule DOXORUBICIN
VINCRISTINE
CYCLOPHOSPHAMIDE
RITUXIMAB
PREDNISONE
MLN-8237
ETOPOSIDE
MLN-8237-004
LN-8237
LN8237
ALISERTIB
Ensartinib
nan 3 Xcovery ChemSpider
PubChem
ZINC
FDA SRS
BindingDB
NaN NaN nan 1 560.2 4.7 122.5 7 3 6 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 nan nan
X-396
X-396 CAPSULES
ENSARTINIB
Vatalanib
nan 3 Novartis ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 1 346.1 5 50.7 4 1 4 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 nan Achiral Molecule CGP-79787
PTK-787
BAY-86-5127
K-222584
CGP-79787D
ZK 222584
PTK787/ZK 222584
PTK787
VATALANIB
CGP-79787
ZK-222584
NVP-PTK787
Dovitinib
nan 3 Novartis ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
ZINC
FDA SRS
BindingDB
'38O' 4tyi 5a46 5am6 5am7 5owq 1 0 392.2 2.5 94 5 3 2 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 nan Achiral Molecule CHIR-258
KI258
NVP-TKI258
CHIR-258
GFKI-258
Avapritinib
nan 3 Blueprint Medicines ChemSpider
PubChem
FDA SRS
NaN NaN nan 0 498.2 2.6 106.3 10 1 5 nan nan Smiles=C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(cn5ncn4)c6cnn(c6)C)N
InChiKey=DWYRIWUZIJHQKQ-SANMLTNESA-N
nan nan nan
BLU-285
Capmatinib
nan 3 Novartis ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 412.1 3.4 85.1 6 1 4 nan MET Tyr Smiles=CNC(=O)c1ccc(cc1F)c2cnc3ncc(n3n2)Cc4ccc5c(c4)cccn5
InChiKey=LIOLIMKSCNQPLV-UHFFFAOYSA-N
nan nan Achiral Molecule INCB 28060
INC-280
NYP-INC280-NX
NVP-INC280
NVP-INC280-AAA
INC-280
INC280
INCB-28060
INC280
INCB28060
INCB028060
Alpelisib
nan 3 Novartis ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'1LT' 4jps nan 0 441.1 3.8 101.2 5 2 4 nan 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
nan nan Single Stereoisomer NVP-BYL719
BYL719
BYL-719
Barasertib
nan 3 Astrazeneca ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 1 587.2 3.6 174.8 9 5 15 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 nan Achiral Molecule
AZD-1152
Peficitinib
nan 3 Astellas Pharma ChemSpider
RCSB
PDBe
ZINC
'9T6' 6aah 6aaj 6aak 6aam nan 0 326.2 2 104 4 4 3 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 nan Racemic Mixture
ASP015K hydrobromide
ASP015K
Asciminib
nan 3 Novartis ChemSpider
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
'AY7' 5mo4 nan 0 449.1 3.5 103.4 6 3 6 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 nan nan
ASCIMINIB
Canertinib
nan 3 Pfizer ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 485.2 4.4 88.6 7 2 9 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 nan Achiral Molecule
PD-183805
CI-1033
SN-26606
PD-0183805
Flumatinib
nan 3 Jiangsu Hengrui Medicine ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 2 562.2 5 99.2 8 2 7 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 nan Achiral Molecule
HHGV678
Famitinib
nan 3 Jiangsu Hengrui Medicine ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 410.2 3.3 68.4 3 2 6 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 nan nan
Buparlisib
nan 3 Novartis ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'SD5' 3sd5 5m7e 1 0 410.2 1.8 89.6 8 1 3 nan PIK3CA Atypical Smiles=c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F
InChiKey=CWHUFRVAEUJCEF-UHFFFAOYSA-N
nan nan Achiral Molecule BUPARLISIB
BKM120-AAA
NVP-BKM120
BKM120
BKM120-NX
Crenolanib
nan 3 Arog Pharmaceuticals ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'6T2' 5lby 6bqp 1 0 443.2 3.9 78.4 7 1 5 nan FLT3
PDGFRA
PDGFRB
Tyr Smiles=CC1(COC1)COc2ccc3c(c2)ncn3c4ccc5cccc(c5n4)N6CCC(CC6)N
InChiKey=DYNHJHQFHQTFTP-UHFFFAOYSA-N
nan nan Achiral Molecule CRENOLANIB BESYLATE
CP-868596
CP-868,596
IND 112201
ARO-002-26
ARO-002
596-26
CP-868
Fedratinib
nan 3 Sanofi ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'2TA' 4ogj 4ps5 nan 1 524.3 4.8 108.5 8 3 10 nan JAK2
FLT3
BRD4
Tyr
(*)
Smiles=Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
InChiKey=JOOXLOJCABQBSG-UHFFFAOYSA-N
nan nan Achiral Molecule
SAR-302503
TG-101348
Abemaciclib
Verzenio 4 Eli Lilly ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'6ZV' 5l2s 1 1 506.3 4.9 75 8 1 7

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 LY2835219
VERZENIO
LY-2835219
Y
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 0 487.2 3.3 106.5 9 3 7

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 SPRYCEL (DASATINIB
SPRYCEL (R
BMS-354825-03
IDARUBICIN(IDA
DAS
ETOPOSIDE(VP-16
SPRYCELL
SRC KINASE
KI DASATINIB
PACLITAXEL
SPRYCEL
ETHOTREXATE: MTX
732517
ITOXANTRONE
BMS-354825
SPRYCEL
ZYFLO® + SPRYCEL
REVLIMID
863127-77-9
SPRYCEL®
ELPIDA
BMS 354825
AXOL
SPYRICEL
CARBOPLATIN
ACLACINOMYCIN(ACLA
REANDA
DASATINIB
DTIC (DACARBAZINE
SPRYOCEL
BMS-354825-03
PARAPLATIN
ZYFLO
BMS-345825
CYTARABINE(ARA-C
Y 280-286
Idelalisib
Zydelig 4 Gilead Sciences ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'40L' 4xe0 1 0 415.2 3.8 101.4 7 2 5

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 GS-1101
GS 1101
CAL-101
CAL 101
IDELALISIB
GS1101
CAL-101
ZYDELIG
Y
Imatinib
Gleevec 4 Novartis ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'STI' 1iep 1opj 1t46 1xbb 2hyy 2oiq 2pl0 3fw1 3gvu 3hec 3k5v 3ms9 3mss 3oez 3pyy 4bkj 4csv 4r7i 5mqt 6hd4 6hd6 6npe 6npu 6npv 2 0 493.3 4.6 86.3 7 2 7

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, GLIVEC
GLEEVEC/GLEEVIC
IMATINIB MESYLATE
NSC-716051
STI-571
IMATINIB 100MG
CGP-57148B
DOCETAXEL
CARCEMIA
GLEEVAC
CGP 57148
ST1571
PLATINOL
GLEEVEC/GLIVEC
IMATINIB
IMATINIB MÉSILATE
AXOTERE
PEGINTRON
INTERFERON, PEGASYS
GLEEVEC, STI571
111201
RAD001-EVEROLIMUS
GLIVEC, MI
XELODA
GLIVEC/GLEEVEC
STI 571
STI571
GLIVEC, CELLCEP
GLIVEC,
GLEEVEC
STI571,
IMATINIB-AF
GLEEVEC(R
PACLITAXEL: TAXOL
GLIVEC
GLIVEC, GLEEVEC
IMATINIB 400MG
CHLORAMBUCIL
GLIVEC OR GLEEVEC
GLEVEC
NSC #716051
ELOXATIN
IND # 55666
CGP57148B
AVASTIN
NONE NOTED
VALPROIC ACID
RADE NAME: GLEEVEC
CEMIVIL
Y 226
Ibrutinib
Imbruvica 4 Pharmacyclics ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'1E8' 4ifg 4rz7 5p9i 5yu9 1.5 0 440.2 4.2 99.2 7 1 5

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 IMBRUVICA
PCI-32765
PCI-32765
UC-961
VENETOCLAX
PCI-32765-00
PCI32765
JNJ-54179060
CRA-032765
IBRUTINIB TREATMEN
GDC-0199
PIC-32765
IBRUTINIB
Y 149-158
Icotinib
nan 4 Zhejiang Beta Pharma ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 391.2 3.2 74.7 7 1 2

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 nan nan
ICOTINIB
BPI-2009
CONMANA
ICOTINIB HYDRIC
CHEMOTHERAPY
N
Erlotinib
Tarceva 4 Osi Pharmaceuticals ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'AQ4' 1m17 4hjo 6dwn 1.5 0 393.2 3.4 74.7 7 1 10

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-5747498-A Achiral Molecule ERLOTINIB PLACEBO
ARCEVA
LEUCOVORIN
ERLOTITNIB
CP-35877401
774
CELEBREX
ERBITUX
IRATA
ERLOTINIB (TARCEVA
CP-358
GEMZAAR
ERLOTINIB (OSI-774
OSI-744
ARCEVA(R
OSI-774
PACLITAXEL
RG-1415
GEMCITABINE
OSI-774
CP-358, 774
ARCEVA
AXOTERE
ARGRETIN
NSC#718781
CP-358774-01
5-FU
S-1
ERLOTINIB HCL
ARCEVA (R) (ROCHE
CISPLATIN
PAXENE (L01CD01
ARVEVA
Ro-508231
ARCEVA (OSI-774
BRAND NAME: TARCEVA
AVCEVA
XELODA
BEVACIZUMAB
R-1415
CP-358774
CP358774
ARCEVA, OSI-774
ARCEVA (ROCHE
CRESTOR
CP-358,774
ERLOTINIB
OTHER NAME: TARCEVA
DIGITALIS
ARCEVA(L01XE03
CARBOPLATIN
CAPECATINE, XELODA
QUINAZOLINE
ERLOTONIB
ARCEVA 150/100 MG
OXALIPLATIN
REATMENT AR
PEMETREXED
ERLOTINIB: TARCEVA
AVASTIN, TARCEVA
OSI-774, TARCEVA
ARCEEVA
GEMZAR
ERLOTINIB - TARCEVA
AVASTIN(L01XC07
ALIMTA
AVASTIN
RILOTUMUMAB
ARVECA
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 1 464.1 5.5 92.3 4 3 5 Sorafenib is indicated for the treatment of unresectable hepatocellular carcinoma and advanced renal cell carcinoma. BRAF
RAF1
FLT4
KDR
FLT3
PDGFRB
KIT
FGFR1
RET
FLT1
Tyr
TKL
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 RENCAREX
BAY 43-9006
LEUPROLIDE ACETATE
NEXAVAR(BAY43-9006
NEXAVAR(R
PR-104
ASCORBATE
SORAFENIB TOSILATO
CG250
NEXAVAR PLUS UF
BAY-54-9085
REATMENT GROUP
OMP-54F28
SORAFENIB TOSYLATE
NEXAVAR
SORAFENIB TREATMEN
BICALUTAMIDE
BAY-43-9006
NEVAXAR
AZD6244,
BAY 54-9085
SORAFENIB 200MG
NSC 724772
IGF-1R
NEXAVAR, BAY43-9006
SORAFENIB = NEXAVAR
L01XE05 V
GROUP C (SORAFENIB
NEXAVAR - SORAFENIB
PRÜFSUBSTANZ
ORISEL
HCC
CHEMOTHERAPY
CISPLATIN
XELODA
NEXAVAR®), THADO
NEXAVAR®, BAY-4900
BIIB022
BEVACIZUMAB
ONOCLONAL ANTIBODY
BAY-439006
NEXAVAR (BAYER
CONTROL
NEXAVAR, RAD001
RATTAMENTO
SORAFENIB (NEXAVAR
BAY 3-9006
SORAFENIB,
LIVER CANCER
GEMZAR
SORAFENIB - NEXAVAR
BAY43-9006
NEXAVAR (SORAFENIB
BAY-43-9006
BAY 43-90006
EXPERIMENTAL GROUP
NEXAVAR ALONE
CAPECITABINE
VITAMIN C
VELCADE
BRAND NAME: NEXAVAR
NEXAVAR AND GEMZAR
LOW-DOSE FP
AVASTIN
SFN
EMODAR
ACE WITH NEXAVAR
SORAFENIB
BORTEZOMIB
RAD001 (EVEROLIMUS
Y 205.6
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 1 489.1 5.5 91.9 4 2 7

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 RO5185426
RO 5185426
RO5185426, ZELBORAF
PLX4032
ZELBORAF
R05185426 (PLX4032
FOTEMUSTINE
ZELBORAF
RO5185426,
PLX-4032
Ro-5185426
RO518426
RG-7204
RG7204
RG 7204
PLX4032, RG7204
Y 272
Ruxolitinib
Jakafi 4 Incyte Corporation ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'RXT' 4u5j 1 0 306.2 3.5 83.2 5 1 4

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 STUDY DRUG
JAKAFI
JAKAFI, INCB018424
INCB-018424
INC424
INCB424, JAKAFI
INCB-018424 Salt
JAKAVI
INCB-18424
INCB018424
INCB18424
INCB-018424
Y
Dabrafenib
Tafinlar 4 GlaxoSmithKline ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'P06' 4xv2 5csw 5hie 1.5 2 519.1 5.4 110.9 7 2 5

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
CAMK
NEK
TKL
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
DRB436
GSK2118436A
GSK2118436
AFINLAR
Methane Sulfonate Salt
GSK-2118436A
GSK2118436B
DAB
Y
Regorafenib
Stivarga 4 Bayer ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN 2 1 482.1 5.7 92.3 4 3 5

Regorafenib is indicated for the treatment of patients with metastatic colorectal cancer (CRC) who have been previously treated with fluoropyrimidine-, oxaliplatin- and irinotecan-based chemotherapy, an anti-VEGF therapy, and, if KRAS wild type, an anti-EGFR therapy. Regorafenib is also indicated for the treatment of patients with locally advanced, unresectable or metastatic gastrointestinal stromal tumor (GIST) who have been previously treated with imatinib mesylate and sunitinib malate.

FLT1
KDR
FLT4
KIT
PDGFRA
PDGFRB
FGFR1
FGFR2
TEK
DDR2
NTRK1
EPHA2
RAF1
BRAF
MAPK11
FRK
ABL1
RET
Tyr
CMGC
TKL
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-734506 monohydrate
STIVARGA
BAY 73-4506
755037-03-7
Y
Ribociclib
Kisqali 4 Novartis ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'6ZZ' 5l2t 1 0 434.3 2.8 91.2 8 2 5

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 RIBOCICLIB
LEE-011
NVP-LEE011
LEE011
KISQALI
LEE011-BBA
Y
Copanlisib
Aliqopa 4 Bayer ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'6E2' 5g2n 1 1 480.2 0.7 139.8 11 2 7 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 84-1236
BAY-80-6946
BAY 80-6946
BAY 80-6946
Y
Cobimetinib
Cotellic 4 Hoffmann-La Roche ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'EUI' 4an2 4lmn 3 1 531.1 3.8 64.6 4 3 4

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 RO5514041
COTELLIC
GDC-0973
XL-518
RG-7420
GDC-0973/XL518
XL518
GDC-0973, XL518
Y
Ceritinib
Zykadia 4 Novartis ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'4MK' 4mkc 1 2 557.2 6.4 105.2 8 3 9

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(ZYKADIA
LDK378
NVP-LDK378-NX
ZYKADIA
CERITINIB
LDK 378
LDK378, ZYKADIA
Y
Cabozantinib
Cabometyx 4 Exelixis ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN 2 2 501.2 5.5 98.8 6 2 8

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 COMETRIQ
XL184
CABOMETRIQ
CABOMETYX
CABOMETYX, XL184
XL-184
BMS-907351
XL-184
Y
Lapatinib
Tykerb 4 GlaxoSmithKline ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'FMM' 1xkk 3bbt 1.5 2 580.1 6.1 106.4 8 2 11

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-6391874-B1 Achiral Molecule YKERB, GSK
GW-572016
LAPATINIB = TYKERB
YOCE
LV AR
YVERB/TYKERB
LAPATINIB: TYKERB
AFFINITOR
PACLITAXEL
GW572016F
GW572016
YKERB/ TYVERB
GSK572016
GW 2016
YVERB, XELODA
GLAXOSMITHKLINE
VINORELBINE
CETUXIMAB: ERBITUX
YKERB/TYVERB
RADIOTHERAPY
YVERB
PLACEBO
YKERB, NAVELBINE
FEMARA
XELODA
PACLITAXEL = TAXOL
VELIPARIB (ABT-888
GW-572016
GW2016
GW-2016
CARBOPLATIN
YKERB; XELODA;NVB
RASTUZUMAB
LAPATINIB (TYKERB
GEMZAR
OXALIPLATIN
YKERB
VELCADE
YKERB, TYVERB
IXEMPRA
EVEROLIMUS
LAPATINIB
AVASTIN
CAELYX
NAVIREL
BEVACIZUMAB
Y
Lenvatinib
Lenvima 4 Eisai ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'LEV' 3wzd 5zv2 1.5 0 426.1 4.1 115.6 5 3 6

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 LENVIMA®, KISPLYX
LENVATINIB MESYLATE
LEVEL 0 LENVATINIB
E7080, LENVATINIB
LENVATINIB
LENVIMA, E7080
LEVEL -2 LENVATINIB
K-7902
LENVIMA; E7080
E7080;LENVIMA
STUDY TREATMEN
LEVEL -1 LENVATINIB
E7080
ER-203492-00
LENVATINIB MESILATE
LENVIMA
E7080, LENVIMA
ER-203492-00
Y
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 1 0 398.2 3.3 77.2 3 3 7

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 SUTENT, SU11248
AXOTERE + SUTEN
ARM B
SU011248, SUTEN
SUNITINIB MALATE
PHA -290940AD
SU-11248
PHA-290940AD
DOCETAXEL(TYXAN
H-302 + SUTEN
BACKGROUND THERAPY
SUNITINIB, SUTEN
GEMZAR, SUTEN
SYSTEMIC THERAPY
SUTENE
CONTROLS
SU11248, SUTEN
BUTANEDIOIC ACID
SUO11248
CYCLES 1 AND 2
SU11248
RADIATION THERAPY
SUTENT, SUNITINIB
SUNITINIB
SUTEN
SUTENT (SUNITINIB
SU010398
ADJUVANT TREATMEN
SUTENT, SU011248,
SUTENT, SU011248
CYCLE 3
SUTENT (SU11248
CASES
DRUG
SU 11248
SUNITINIB MALTE
VELCADE
SUTENT/SUNITINIB
PGS
NONE NOTED
CVX-060 / SUTEN
SU011248
EXPERIMENTAL ARM:
Y
Larotrectinib
Vitrakvi 4 Array BioPharma ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 428.2 2.9 86 6 2 3 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 nan Single Stereoisomer ARRY 470
LOXO-101 sulfate
LOXO 101
LOXO-101
LOXO-101
Y
Brigatinib
Alunbrig 4 Ariad Pharmaceuticals ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
ZINC
FDA SRS
BindingDB
'6GY' 6mx8 1 2 583.3 5.1 85.9 9 2 8

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 AP 26113
AP-26113
ALUNBRIG
AP26113
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 1 1 449.1 5 78 6 2 5

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 PF-02341066
XALKORI
PF-2341066
XALKORI,AVASTIN
CRIZOTINIB
CHOP CHEMOTHERAPY
Y
Vandetanib
Caprelsa 4 Ipr Pharmaceuticals ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'ZD6' 2ivu 1.5 1 474.1 5 59.5 6 1 6

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-RE42353-E1 Achiral Molecule ZD6474
SAR390530
TCMDC-123476
GNF-Pf-2188
ZD-6474
ZACTIMA
CAPRELSA
ZD 6474
ZD-64
Y
Dacomitinib
Vizimpro 4 Pfizer ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'1C9' 4i23 4i24 1 1 469.2 5.2 79.4 6 2 7 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 nan Achiral Molecule DACOMITINIB
PF-00299804-03
Y 184-187
Fasudil
nan 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 nan 0 291.1 1.2 62.3 4 1 2 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 nan Achiral Molecule HA-1077
AT-877
FASUDIL
NO OTHER NAME FOUND
ZK-258594
N
Encorafenib
Braftovi 4 Novartis ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 1 539.2 3.9 140.1 9 3 9

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 nan Single Stereoisomer NVP-LGX818-NXA
LGX818
ENCORAFENIB
NVP-LGX818
Y
Lorlatinib
Lorbrena 4 Pfizer ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'53P' NaN 1 0 406.2 2.8 110.1 7 1 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 nan Single Stereoisomer PF-06463922
LORLATINB
Y
Binimetinib
Mektovi 4 Novartis ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 440 3 88.4 6 3 6

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 nan Achiral Molecule ARRY-162
EK162
ARRY-438162
NVP-MEK162
ARRY-162
MEK-162
Y
Duvelisib
Copiktra 4 Infinity Pharmacueticals ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 416.1 4.5 88.5 6 2 4

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 nan Single Stereoisomer IPI-145
ABBV-954
INK-1147
DUVELISIB
INK-1197
Y >190
Fostamatinib
Tavalisse 4 Rigel Pharmaceuticals ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'2RC' 4o75 nan 2 580.1 3.1 186.7 12 4 10 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 nan Achiral Molecule R935788
R-788 Free acid
R-935788
R-788 Sodium
R-935788 Sodium
R-935788 Free acid
R9355788
Y
Gilteritinib
Xospata 4 Astellas Pharma ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 1 552.4 2.7 121.1 10 3 9 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 nan Achiral Molecule ASP-2215
ASP-2215 HEMIFUMARATE
XOSPATA
ASP2215
Y
Baricitinib
Olumiant 4 Eli Lilly ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'3JW' 4w9x 1 0 371.1 1.1 120.6 7 1 5

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 nan Achiral Molecule BARICITINIB
INCB028050
LY-3009104
LY3009104
INCB-028050
Y
Pazopanib
Votrient 4 GlaxoSmithKline ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN 1 0 437.2 3.1 119 8 2 5 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 GW76034
GW786034
GW78634
GW786034
VOTRIEN
EU/1/10/628/002
EU/1/10/628/001
GW786034B
VOTRIENT(R
GW786034, VOTRIEN
Y
Axitinib
Inlyta 4 Pfizer ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'AXI' 4ag8 4agc 4twp 4wa9 2 0 386.1 4.6 70.7 4 2 5 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 AG013736;
AG013736
INLYTA
INLYTA
AXITINIB
AG-013736
AG-13736
AG-013736
AXITINIB TAXOL
AG 013736, INLYTA
ACE-041, INLYTA
AG-013736, INLYTA
CCNU
Y
Osimertinib
Tagrisso 4 Astrazeneca ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'YY3' 4zau 1 0 499.3 4.5 87.6 8 2 10

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 AGRISSO, AZD9291
[11C]AZD9291
AGRISSO
ECENTRIQ
AZD9291
AZD-9291
OSI
AZD-9291 mesylate
OSIMERTINIB
AZD9291, TAGRISSO
Y
Netarsudil
Rhopressa 4 Aerie Pharmaceutical ChemSpider
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 453.2 4.9 94.3 5 2 7 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 nan Racemic Mixture
AR-13324
Y
Apatinib
nan 4 Bukwang Pharmaceutical ChemSpider
PubChem
Guide to Pharmacology
ZINC
NaN NaN nan 1 397.2 5.1 90.7 5 2 5

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
ALBUMIN PACLITAXEL
APATINIB TABLETS
REATMENT GROUP
DOCETAXEL
ESYLATE APATINIB
NO.
EGAFUR
5-FLUOROURACIL
YN968D1
PACLITAXOL
ARGET THERAPY
AI TAN
ARM A
S-1
YEW
YN968D1,(AITAN®
APATINIB
VP-16
CARBOPLATIN
PLATINU
SPA
S1
OXALIPLATIN
APATINIB MESYLATE
XELOX
CAPECITABINE
AITAN
ATAN
PEMETREXED
N
Anlotinib
nan 4 Advenchen Laboratories ChemSpider
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 407.2 4.8 82.4 5 2 6

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 nan nan
ALTN
APCII
APC I
ATCII
AL3818
ANLOTINIB
ATC I
N
Nintedanib
Ofev 4 Boehringer Ingelheim ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'XIN' 3c7q 5maf 5te0 1 1 539.3 3.6 94.2 7 2 7 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
VARGATEF
OVEF
BIBF1120
L01XE31
NINTEDANIB
BIBF-1120
Y
Midostaurin
Rydapt 4 Novartis Pharmaceuticals Corp ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'2K2' 4nct nan 2 570.2 5.9 77.7 6 1 3 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 DACOGEN
PKC-412
PKC412
CGP41251
IDOSTAURIN
PKC412, MIDOSTAURIN
RYDAP
CGP 41251
CGP41231
NVP-PKC412
PKC412, RYDAP
PKC-412
CGP-41251
Y 235-260
Alectinib
Alecensa 4 Hoffmann-La Roche ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'EMH' 3aox 5xv7 1 0 482.3 4.8 72.4 5 1 3

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 RO5424802
CH5424802
RG7853
AF-802
AF802
RO5452802
ALECENSA
CH-5424802
Y
Neratinib
Nerlynx 4 Puma Biotechnology ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 2 556.2 5.9 112.4 8 2 11

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 HKI-272
WAY-179272
NERLYNX
NERATINIB
CDP-820
Y
Afatinib
Gilotrif 4 Boehringer Ingelheim ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'0WM' 4g5j 1 0 485.2 4.4 88.6 7 2 8

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-6251912-B1 Single Stereoisomer AFATINIB
ERBITUX
BIBW2992
BIBW2992 MA2
BIBW 2992 MA2
BIBW 2992MA2
GIOTRIF OR GILOTRIF
BIBW2992-MA2
BIBW-2992
GILOTRIF
GIOTRIF
BIBW 2992
Y
Acalabrutinib
Calquence 4 Astrazeneca ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 465.2 3.3 118.5 7 2 4 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-9290504-B2 Single Stereoisomer ACP-196
CALQUENCE
ACALABRUTINIB + BR
ACALABRUTINIB + VR
Y
Palbociclib
Ibrance 4 Pfizer ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'LQQ' 2euf 5l2i 1 0 447.2 3 105 9 2 5

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
FASLODEX
PERIOD 1
571190-30-2
PFIZER PD 0332991
KADCYLA=T-DM1
PD 0332991-00
PD 0332991
PD0332991
PD-0332991
PALBOCICLIB
PD-0332991-00
PF-0008066573
PERIOD 2
IBRANCE; PD-0332991
IBRABCE
ZOLADEX
PD-03329910054
PF-00080665-73
FEMARA
AMOXIFEN
PD 0332991-0054
ANASTROZOLE
LETROZOLE
PD-0332991
EXEMESTANE
IBRANCE, PD-0332991
PD-332991
AI AND PALBO
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 4otw 4qmn 5ajq 5i9x 5vc3 5vcy 6fdy 1 2 529.2 5.2 82.9 8 1 9

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
CAMK
Atypical
Tyr
CMGC
STE
Smiles=CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
InChiKey=UBPYILGKFZZVDX-UHFFFAOYSA-N
2012 US-6002008-A Achiral Molecule BOSULIF
BOSUTINIB
KA
SKI-606
SKI 606
Y
Trametinib
Mekinist 4 GlaxoSmithKline ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN 3 1 615.1 3.9 107.1 8 2 5

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
STE
TKL
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 GSK1120212
EKI
JTP-78296
GSK1120212
RA
212
JTP-74057
RAMETINIB
EKINIS
GSK1120212B
B
871700-17-3
JTP-75303
SUPPORTIVE CARE
Y 293-303
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 2 1 532.2 4.5 65.8 6 1 4

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 AP-24534
AP24534 HCL
AP24534
ICLUSIG
AP-24534
AP-24534 HCl
ICLUSIQ
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 0 312.2 1.5 88.9 5 1 3

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 CP 690,550, XELJANZ
CP-690,550
CP-690,550, XELJANZ
XELJANZ XR
550
JAKVINUS
CP-690
CP 690,550; XELJANZ
CP-690550-10
CP-690550
XELJANZ
OFACITINIB
OFACITINIB CITRATE
Y
Tivozanib
nan 4 Aveo Pharmaceuticals ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'AV9' 4ase 2 1 454.1 5.6 107.7 7 2 6 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 nan Achiral Molecule Kil8951
KRN951
AV-951
KRN-951
Kil-8951
ASP-4130
AV-951
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 0 446.2 4.3 68.7 7 1 8

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 US-5770599-A Achiral Molecule ERBITUX
IRRESSA
COMPARATOR PRODUC
H-R3
IRESSA
GEFITINIB
ZD-1839
ZD 1839, IRESSA
ZOLINZA
IRESSA@
GEFITINIB, IRESSA
IRRESA
PEMETREXED (ALIMTA
IRESSA 250MG
YIRUIKE
AP-G
IRESSA
REAMTMENT AR
ZD1839
GEFITINIB (IRESSA
ARGETED THERAPY
ZD1839, IRESSA
ZD1839 (IRESSA
ZD 1839
A031
EGFR TKI
INTERCALATING AR
Y
Nilotinib
Tasigna 4 Novartis ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'NIL' 3cs9 3gp0 5mo4 2 2 529.2 6.4 97.6 7 2 6 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 ASIGNA, GLEEVEC
AMN 107
ASIGNA 300 MG
ASIGNA
AMN-107
AMN107
AMN107, TASIGNA
NILOTINIB: TASIGNA
AMN 107 BASE FOR
Y

(*) indicates that the target is not a kinase