PKIDB: A Curated, Annotated and Updated Database of Protein Kinase Inhibitors in Clinical Trials


Latest updates : 2018-07-25
New inhibitors this month: Binimetinib, Encorafenib, Dezapelisib, Mavelertinib, Nemiralisib, Leniolisib, Ravoxertinib, Avitinib, Berzosertib, Nazartinib, Umbralisib
Structures and data are compiled by SB&C Team from the Chembl Drugstore and clinicaltrials.gov
Please note that we provide information about inhibitors having known International Nonproprietary Names (INN). For more information see the USAN nomenclature.
To report any issue please contact pascal.bonnet@univ-orleans.fr
Citing PKIDB: To cite PKIDB please reference:
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

Quick start

The PKIDB interface allows both filtering and sorting options.
1.Filtering: Use the filters above each column of PKIDB to filter and limit table data. See table below for examples of numerical and string filters
All available operators are: <, <=, >, >=, =, *, !, {, }, ||, &&, [empty]
Column Query Description Column Query Description
Phase =4 Select approved inhibitors LogP >5 Select inhibitors having LogP > 5
First_approval <=2010 Select inhibitors approved until 2010 NRB >5 && <9 Select inhibitors having 5 < NRB > 9
INN_Name tinib} Match data ending with search term: select tyrosine kinase inhibitors pdbID {5 Match data starting with search term: select the inhibitors that were cocrystalised for the first time in 2016 (PDB ID starting with a five)
Canonical_Smiles_Inchi_key C(=O)N* Partial match: select inhibitors having amide bond Applicants novartis || bayer Select Novartis OR Bayer inhibitors
Targets CDK4 && CDK6 Select CDK4 AND CDK6 dual inhibitors Chirality !Achiral Molecule Select chiral inhibitors
2.Sorting: All fields of the PKIDB are sortable by clicking on the column header

Note: Molecular descriptors were calculated with RDKit version 2017.09.2.
The 10 following inhibitors have been excluded from PKIDB because they have no available structure: Alflutinib, Cafusertib, Chiauranib, Cipatinib, Daborafenib, Epitinib, Kanitinib, Metatinib, Sulfatinib, Theliatinib
INN_Name Brandname Phase Applicants Links LigID pdbID Type RoF MW LogP TPSA HBA HBD NRB Indications Targets Canonical_Smiles_InChiKey First_Approval SC_Patent Chirality Synonyms
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 DEZAPELISIB
INCB040093
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 Smiles=Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)/C=C\3/c4cc(ccc4NC3=O)F
InChiKey=SRSGVKWWVXWSJT-ATVHPVEESA-N
nan nan Achiral Molecule TOCERANIB PHOSPHATE
TOCERANIB
PHA-291639
PHA-291639E
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 MAVELERTINIB
PF-06747775
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 NEMIRALISIB
GSK2269557A
GSK-2269557
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 LENIOLISIB
CDZ173-AZ
CDZ173-NX
LENIOLISIB PHOSPHATE
Oclacitinib
nan 0 Pfizer ChemSpider
ChEMBL
Guide to Pharmacology
FDA SRS
NaN NaN nan 0 337.2 1.5 91 5 2 5 nan JAK1
JAK2
JAK3
Smiles=CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(c2ncnc3c2cc[nH]3)C
InChiKey=HJWLJNBZVZDLAQ-HAQNSBGRSA-N
nan nan Single Stereoisomer OCLACITINIB
PF-03394197-11
OCLACITINIB MALEATE
JAKI
PF-03394197
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
Smiles=C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)OCc4cccc(c4)F
InChiKey=MVZGYPSXNDCANY-UHFFFAOYSA-N
nan nan nan ALL-3
AST-1306
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
Smiles=c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(nc4)C(F)(F)F
InChiKey=JGWRKYUXBBNENE-UHFFFAOYSA-N
nan nan Achiral Molecule PEXIDARTINIB
FP-113
CML-261
PLX3397
PEXIDARTINIB HYDROCHLORIDE
PLX3397 HCl
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 Ex-RAD
ON-01210
ON 01210
RECILISIB
ON 01210.Na
ON 01210. NA
RECILISIB SODIUM
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
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 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
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
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
Selatinib
nan 1 Qilu Pharmaceutical ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
NaN NaN nan 2 564.1 6.5 89.3 7 2 11 nan EGFR
ERBB2
Smiles=CS(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F
InChiKey=OAMVGUFHZPRXOM-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
Smiles=Cn1ccnc1Sc2ccc(cc2Cl)Nc3c4cc(c(cc4ncc3C#N)N5CCC(CC5)N6CCCC6)OC
InChiKey=CVAKNHIXTWLGJO-UHFFFAOYSA-N
nan nan Achiral Molecule BALAMAPIMOD
MKI-833
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
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
Cenisertib
nan 1 EMD Serono ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 451.2 2.5 99.4 7 3 6 nan AURKA
AURKB
AURKC
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
AS-703569
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
Smiles=COc1c(cc(cn1)c2ccc3c(c2)c(ccn3)c4ccnnc4)NS(=O)(=O)c5ccc(cc5F)F
InChiKey=CGBJSGAELGCMKE-UHFFFAOYSA-N
nan nan Achiral Molecule OMIPALISIB
GSK2126458
GSK-2126458
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 RAVOXERTINIB
GDC-0994
RG-7842
Altiratinib
nan 1 Deciphera Pharmaceuticals ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 1 510.2 5 109.4 5 3 8 nan MET
TEK
KDR
NTRK1
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 DCC-2701
ALTIRATINIB
DP-5164
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
Smiles=c1cc(ccc1CCCCn2ccnn2)OCc3coc(n3)/C=C/c4ccc(cc4)C(F)(F)F
InChiKey=ZTFBIUXIQYRUNT-MDWZMJQESA-N
nan nan Achiral Molecule TAK-165
MUBRITINIB
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
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
DACTOLISIB TOSYLATE
DACTOLISIB
NVP-BEZ235-NX
BEZ-235
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 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 AZD-1775
MK-1775
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 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
SCIO-469
TALMAPIMOD
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 Smiles=CC[C@](C)(C(=O)NCC(F)(F)F)Nc1ccnc(n1)c2c[nH]c3c2cccn3
InChiKey=ASUGUQWIHMTFJL-QGZVFWFLSA-N
nan nan Single Stereoisomer DECERNOTINIB
VRT-831509
VX-509
ADELATINIB
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 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 BBI503
AMCASERTIB
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 component of double-stranded DNA repair in cancer cells.

KIT
MET
RET
FLT3
PDGFRB
Smiles=c1ccc2c(c1)c3c(o2)c(ncn3)N4CCN(CC4)C(=S)NCc5ccc6c(c5)OCO6
InChiKey=FOFDIMHVKGYHRU-UHFFFAOYSA-N
nan nan Achiral Molecule MP-470.HCL
HPK56
AMUVATINIB HYDROCHLORIDE
MP-470
AMUVATINIB
HPK-56
Anlotinib
nan 2 Advenchen Laboratories ChemSpider
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 407.2 4.8 82.4 5 2 6 nan KDR
FLT4
Smiles=Cc1cc2c([nH]1)ccc(c2F)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC
InChiKey=KSMZEXLVHXZPEF-UHFFFAOYSA-N
nan nan nan
ALTN
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
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 Sonolisib
PX-866
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
Smiles=Cn1c2c(cc(c1=O)Oc3ccc(cc3F)F)cnc(n2)NC(CCO)CCO
InChiKey=JYYLVUFNAHSSFE-UHFFFAOYSA-N
nan nan Achiral Molecule R1503
R-1503
JTT-705
Ro-4402257
PAMAPIMOD
Avitinib
nan 2 Hangzhou ACEA Pharmaceutical Research ChemSpider
PubChem
ZINC
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
Riviciclib
nan 2 Piramal Enterprises ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 401.1 3.3 94.1 6 3 3 nan CDK1
CDK4
CDK9
Smiles=CN1CC[C@H]([C@@H]1CO)c2c(cc(c3c2oc(cc3=O)c4ccccc4Cl)O)O
InChiKey=QLUYMIVVAYRECT-OCCSQVGLSA-N
nan nan Racemic Mixture
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
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
BAFETINIB
NS-187
CNS-9
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 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
DORAMAPIMOD
Bemcentinib
nan 2 BerGenBio ChemSpider
ChEMBL
PubChem
DrugBank
ZINC
FDA SRS
NaN NaN nan 1 506.3 4.9 97.8 8 2 4 nan AXL Smiles=c1ccc-2c(c1)CCCc3c2nnc(c3)n4c(nc(n4)Nc5ccc6c(c5)CC[C@H](CC6)N7CCCC7)N
InChiKey=KXMZDGSRSGHMMK-VWLOTQADSA-N
nan nan nan
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
Smiles=Cc1cc(ccc1c2c3ccc(=O)n(c3nc(n2)NC(CO)CO)c4c(cccc4F)F)F
InChiKey=ORVNHOYNEHYKJG-UHFFFAOYSA-N
nan nan Achiral Molecule SB-681323-T
DILMAPIMOD TOSYLATE
SB-681323
GW-681323
DILMAPIMOD
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
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 GOLVATINIB
GOLVATINIB TARTRATE
ER-396901-08
E-7050
E7050
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 Smiles=COCCOc1ccc(cc1)Nc2ncc(c(n2)Nc3cccc(c3)NC(=O)C=C)F
InChiKey=KXBDTLQSDKGAEB-UHFFFAOYSA-N
nan nan Achiral Molecule Spebrutinib
AVL-292
SPEBRUTINIB BESYLATE
CC-292
SPEBRUTINIB
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 Smiles=Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccnc5c4cc(cc5)C(=O)N
InChiKey=IVRXNBXKWIJUQB-UHFFFAOYSA-N
nan nan Achiral Molecule LY-2157299
GALUNISERTIB
LY2157299
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
Smiles=Cn1c(c(cn1)Cl)c2cc(sc2Cl)C(=O)N[C@@H](Cc3cccc(c3)F)CN
InChiKey=AFJRDFWMXUECEW-LBPRGKRZSA-N
nan nan Single Stereoisomer GSK2110183C
GSK-2110183
GSK2110183B
AFURESERTIB
AFURESERTIB HYDROCHLORIDE
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 Smiles=CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
InChiKey=NHHQJBCNYHBUSI-UHFFFAOYSA-N
nan nan nan R-406
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
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 DEFACTINIB
VS-6063
DEFACTINIB HYDROCHLORIDE
PF-04554878
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 1 0 464.2 3.5 102.1 8 3 7 nan AURKA
AURKB
AURKC
Smiles=Cc1cc(n[nH]1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C
InChiKey=GCIKSSRWRFVXBI-UHFFFAOYSA-N
nan nan Achiral Molecule MK-045
MK-0457
VX-680
VX-68
TOZASERTIB
TOZASERTIB LACTATE
Selonsertib
nan 2 Gilead Sciences ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 445.2 4.7 90.5 7 1 6 nan MAP3K5 Smiles=Cc1cc(c(cc1n2cc(nc2)C3CC3)C(=O)Nc4cccc(n4)c5nncn5C(C)C)F
InChiKey=YIDDLAAKOYYGJG-UHFFFAOYSA-N
nan nan Achiral Molecule SELONSERTIB
GS-4997
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 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
RABUSERTIB
LY2603618
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
Smiles=Cc1c(sc2c1nc(nc2N3CCOCC3)c4cnc(nc4)N)CN5CCN(CC5)C(=O)[C@H](C)O
InChiKey=YOVVNQKCSKSHKT-HNNXBMFYSA-N
nan nan Single Stereoisomer GDC-0980
G-038390.1
APITOLISIB
G-038390
RG-7422
GDC-0980.1
RG7422
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
Smiles=CNC(=O)CN1CCC(CC1)Oc2cc3c(cc2OC)ncnc3Nc4cccc(c4F)Cl
InChiKey=DFJSJLGUIXFDJP-UHFFFAOYSA-N
nan nan Achiral Molecule AZD-8931
Sapitinib
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 Smiles=c1cc(ccc1Nc2c3nccn3cc(n2)c4ccc5cn[nH]c5c4)N6CCOCC6
InChiKey=XSMSNFMDVXXHGJ-UHFFFAOYSA-N
nan nan Achiral Molecule ENTOSPLETINIB
GS-9973
Entrectinib
nan 2 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
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 NMS-E628
ENTRECTINIB
RXDX-101
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
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
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
Smiles=N#CC(c1nc2ccccc2s1)c5nc(OCc3ccc(cc3)CN4CCOCC4)ncc5
InChiKey=XCPPIJCBCWUBNT-UHFFFAOYSA-N
nan nan Racemic Mixture PGL-5001
Bentamapimod
AS-602801
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 Smiles=C=CC(=O)N1CCC(CC1)CNc2c(c(ncn2)N)c3ccc(cc3)Oc4ccccc4
InChiKey=QUIWHXQETADMGN-UHFFFAOYSA-N
nan nan nan
EVOBRUTINIB
Foretinib
nan 2 GlaxoSmithKline ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'88Z' 3lq8 5ia4 2 2 632.2 5.8 111.2 8 2 12 nan MET
KDR
Smiles=COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F
InChiKey=CXQHYVUVSFXTMY-UHFFFAOYSA-N
nan nan Achiral Molecule GSK-1363089
FORETINIB
EXEL-2880
GSK1363089G
GSK-089
XL-880
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 BERZOSERTIB
VX-970
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 Smiles=Cc1cc(n[nH]1)Nc2cc(c3nc(c(n3n2)Cc4ccc(cc4F)Cl)C)CN5CCOCC5
InChiKey=SQSZANZGUXWJEA-UHFFFAOYSA-N
nan nan Achiral Molecule GANDOTINIB
LY-2784544
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
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 PF-05212384
GEDATOLISIB
PKI-587
Sitravatinib
nan 2 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
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 MGCD516
SITRAVATINIB
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 Smiles=c1cc(ccc1[C@H](CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl
InChiKey=JDUBGYFRJFOXQC-KRWDZBQOSA-N
nan nan nan AZD-5363
Pilaralisib
nan 2 Sanofi ChemSpider
ChEMBL
PubChem
DrugBank
ZINC
FDA SRS
NaN NaN nan 1 540.1 4.5 148.3 8 4 8 nan PIK3CA
PIK3CB
PIK3CD
PIK3CG
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
PILARALISIB
SAR245408
Capmatinib
nan 2 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 Smiles=CNC(=O)c1ccc(cc1F)c2cnc3ncc(n3n2)Cc4ccc5c(c4)cccn5
InChiKey=LIOLIMKSCNQPLV-UHFFFAOYSA-N
nan nan Achiral Molecule INCB-28060
INC-280
Capmatinib
NYP-INC280-NX
NVP-INC280-AAA
CAPMATINIB HYDROCHLORIDE
INC280
NVP-INC280
Uprosertib
nan 2 GlaxoSmithKline ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 428.1 3.6 86.1 5 2 6 nan AKT1
AKT2
AKT3
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 GSK-2141795
GSK2141795C
UPROSERTIB
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 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
Tepotinib
MSC-2156119
EMD-1214063
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
Smiles=CCn1c2c(cc(c1=O)c3ccn[nH]3)c(nc(n2)N)C
InChiKey=RGHYDLZMTYDBDT-UHFFFAOYSA-N
nan nan Achiral Molecule VOXTALISIB
SAR-245409
XL-765
Acalisib
nan 2 Gilead Sciences ChemSpider
PubChem
ZINC
FDA SRS
NaN NaN nan 0 401.1 3.4 101.4 7 2 4 nan PIK3CA Smiles=C[C@@H](c1nc2ccc(cc2c(=O)n1c3ccccc3)F)Nc4c5c(nc[nH]5)ncn4
InChiKey=DOCINCLJNAXZQF-LBPRGKRZSA-N
nan nan Single Stereoisomer
CAL-120
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
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
Larotrectinib
nan 2 Array BioPharma ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 428.2 2.9 86 6 2 3 nan NTRK1
NTRK2
NTRK3
Smiles=c1cc(c(cc1F)[C@H]2CCCN2c3ccn4c(n3)c(cn4)NC(=O)N5CC[C@@H](C5)O)F
InChiKey=NYNZQNWKBKUAII-KBXCAEBGSA-N
nan nan Single Stereoisomer LOXO-101 sulfate
LAROTRECTINIB SULFATE
LOXO-101
LAROTRECTINIB
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
Smiles=CNC(=O)c1cc(ccn1)COc2c3c(cco3)c(nn2)Nc4ccc(cc4)Cl
InChiKey=QFCXANHHBCGMAS-UHFFFAOYSA-N
nan nan Achiral Molecule BAY-57-9352
BAY-579352
Telatinib
Rebastinib
nan 2 Deciphera Pharmaceuticals ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'919' 3qri 3qrj 5g6v 6cnh 2 2 553.2 6 123.1 7 3 6 nan FLT3
TEK
KDR
LYN
BCR
ABL1
NTRK1
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 DP-1919
REBASTINIB
DP-1919.TO, DCC-2036
DCC-2036
REBASTINIB TOSYLATE
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
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 EKB-569
PELITINIB
WAY-EKB-569
Tarloxotinib
nan 2 Threshold Pharmaceuticals ChemSpider
PubChem
FDA SRS
NaN NaN nan 1 679 1.6 140.8 9 2 9 nan EGFR 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
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 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 MERESTINIB
LY-2801653
LY2801653
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 Smiles=CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(ncn2)N
InChiKey=GYLDXIAOMVERTK-UHFFFAOYSA-N
nan nan Achiral Molecule TAK-228
MLN-0128
SAPANISERTIB
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
Smiles=c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N
InChiKey=WPHKIQPVPYJNAX-UHFFFAOYSA-N
nan nan Achiral Molecule ILORASERTIB
ABT-348, A-968660
ABT-348
A-968660
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
Smiles=CC(C)Oc1ccc(cc1)NC(=O)N2CCN(CC2)c3c4cc(c(cc4ncn3)OCCCN5CCCCC5)OC
InChiKey=UXXQOJXBIDBUAC-UHFFFAOYSA-N
nan nan Achiral Molecule MLN-0518
CT-53518
MLN-518
TANDUTINIB
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
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
Danusertib
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
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 NVP-BGJ398
BGJ-398
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
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 TESEVATINIB TOSYLATE
TESEVATINIB
KD-019
XL-647
KD-020
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
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
GLESATINIB
MG90265
MGCD265
MG90265X
MG90265gly
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
Smiles=CNC(=O)c1cccc2c1ccc(c2)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC
InChiKey=CUDVHEFYRIWYQD-UHFFFAOYSA-N
nan nan Achiral Molecule AL-3810
LUCITANIB
CO-3810
E-3810
S 80881
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 Smiles=C[C@H]1COCCN1c2c3ccc(nc3nc(n2)N4CCOC[C@@H]4C)c5cccc(c5)C(=O)NC
InChiKey=JUSFANSTBFGBAF-IRXDYDNUSA-N
nan nan Single Stereoisomer VISTUSERTIB
AZD2014
AZD-2014
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
Smiles=CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1
InChiKey=BTIHMVBBUGXLCJ-OAHLLOKOSA-N
nan nan Single Stereoisomer AL-39256
SELICICLIB
CYC-202
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 Smiles=c1cc(c(c(c1)Cl)c2c3ccc(nn3cnc2=O)Sc4ccc(cc4F)F)Cl
InChiKey=VEPKQEUBKLEPRA-UHFFFAOYSA-N
nan nan Achiral Molecule 745
VRT-031745
VX-745
VD-31
NEFLAMAPIMOD
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 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
REFAMETINIB
BAY-86-9766
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
Smiles=CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4ccc(cc4)N5CCN(CC5)C)C
InChiKey=RXZMYLDMFYNEIM-UHFFFAOYSA-N
nan nan Achiral Molecule Milciclib
PHA-848125
Silmitasertib
nan 2 Senhwa Biosciences ChemSpider
ChEMBL
PubChem
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'3NG' 3nga 3pe1 5o11 6fyl 6fyp 6fyv 1 0 349.1 4.9 75.1 4 2 3 nan CSNK2A1
CSNK2A2
Smiles=c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O
InChiKey=MUOKSQABCJCOPU-UHFFFAOYSA-N
nan nan Achiral Molecule CX-4945
Silmitasertib
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
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 LY-2228820
LSN2322600
RALIMETINIB
LY22288220
RALIMETINIB MESYLATE
LY2228820 DIMESYLATE
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 Smiles=Cc1cc(ccc1Oc2ccn3c(c2)ncn3)Nc4c5cc(ccc5ncn4)NC6=NC(CO6)(C)C
InChiKey=SDEAXTCZPQIFQM-UHFFFAOYSA-N
nan nan Achiral Molecule TUCATINIB
ARRY-380
ONT-380
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
Smiles=CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6
InChiKey=LHNIIDJUOCFXAP-UHFFFAOYSA-N
nan nan Achiral Molecule PICTILISIB
RG-7321
GDC-0941
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 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 TANZISERTIB
CC-930
JNK-930
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
Smiles=COc1cccc(c1c2cc(n[nH]2)Nc3cnc(cn3)C#N)OCCCN
InChiKey=DOTGPNHGTYJDEP-UHFFFAOYSA-N
nan nan Achiral Molecule PREXASERTIB
LY2606368
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 Smiles=CC1(CN(C1)C(=O)c2ccc(cc2)c3cccc4n3nc(n4)NC(=O)C5CC5)C
InChiKey=MPYACSQFXVMWNO-UHFFFAOYSA-N
nan nan Achiral Molecule GSK2586184A
GSK-2586184
GLPG-0778
SOLCITINIB
G154578
GLPG0778
GLPG-0788
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 Smiles=COc1cc2c(cc1OC3CCN(CC3)C(=O)C=C)c(ncn2)Nc4ccc(c(c4F)Cl)Cl
InChiKey=LPFWVDIFUFFKJU-UHFFFAOYSA-N
nan nan Achiral Molecule NOV-120101
Poziotinib
HM-781-36B
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
Smiles=c1cc(c(cc1I)F)Nc2cnccc2C(=O)NC[C@@H](CO)O
InChiKey=VIUAUNHCRHHYNE-JTQLQIEISA-N
nan nan Single Stereoisomer MSC1936369A; AS703026; EMD 1036239
EMD 1036239
AS-703026
PIMASERTIB
MSC-1936369B
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
Smiles=Cc1ccc(cc1n2c(c(cn2)C(=O)c3cccc(c3)C#N)N)C(=O)NC4CC4
InChiKey=VGUSQKZDZHAAEE-UHFFFAOYSA-N
nan nan Single Stereoisomer
Voruciclib
nan 2 Piramal Enterprises ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 469.1 4.3 94.1 6 3 3 nan CDK4 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
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 Smiles=CN1CCN(CC1)c2ccc(cc2)Nc3nc4ccsc4c(n3)Oc5cccc(c5)NC(=O)C=C
InChiKey=FDMQDKQUTRLUBU-UHFFFAOYSA-N
nan nan Achiral Molecule HM61713
BI1482694CL2
BI 1482694
HM-61713
OLMUTINIB HYDROCHLORIDE
OLMUTINIB
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
Smiles=CN1CCN(CC1)c2ccc(nc2)Nc3ncc4cc5n(c4n3)C6(CCCCC6)CNC5=O
InChiKey=PDGKHKMBHVFCMG-UHFFFAOYSA-N
nan nan Achiral Molecule G1T28
TRILACICLIB
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
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
Varlitinib
nan 2.5 Array Biopharma ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 1 466.1 5.2 93.5 9 2 6 Investigated for use/treatment in cancer/tumors (unspecified). EGFR
ERBB2
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
VARLITINIB TOSYLATE
VARLITINIB
ARRY-543
AR00334543
ASLAN-001
AR00334543 ARRY-334543 ARRY-543
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
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
RG-7604
TASELISIB
Ensartinib
nan 3 Xcovery ChemSpider
PubChem
ZINC
FDA SRS
NaN NaN nan 1 560.2 4.7 122.5 7 3 6 nan ALK 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 ENSARTINIB
X-396
Encorafenib
Braftovi 4 Novartis ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
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 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 ENCORAFENIB
NVP-LGX818
LGX-818
NVP-LGX818-NXA
Duvelisib
nan 3 Infinity Pharmacueticals ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 416.1 4.5 88.5 6 2 4 nan PIK3CD
PIK3CG
Smiles=C[C@@H](c1cc2cccc(c2c(=O)n1c3ccccc3)Cl)Nc4c5c([nH]cn5)ncn4
InChiKey=SJVQHLPISAIATJ-ZDUSSCGKSA-N
nan nan Single Stereoisomer DUVELISIB
IPI-145
INK-1147
INK-1197
Dovitinib
nan 3 Novartis ChemSpider
ChEMBL
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
Smiles=CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4c(c5c(cccc5F)[nH]c4=O)N
InChiKey=PIQCTGMSNWUMAF-UHFFFAOYSA-N
nan nan Achiral Molecule NVP-TKI258
GFKI-258
DOVITINIB LACTATE
TKI-258
DOVITINIB
CHIR-258
Nazartinib
nan 3 Novartis ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
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
Naquotinib
nan 3 Astellas Pharma ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
'8RC' 5y9t nan 1 562.3 2.3 120.2 9 2 9 nan EGFR 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 ASP8273
NAQUOTINIB MESYLATE
NAQUOTINIB
ASP8273 mesilate
Dinaciclib
nan 3 Schering-Plough ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 0 396.2 2.3 92.6 7 2 7 nan CDK4
CDK6
BRDT
Smiles=CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)[O-])N4CCCC[C@H]4CCO
InChiKey=PIMQWRZWLQKKBJ-SFHVURJKSA-N
nan nan Single Stereoisomer MK-7965
DINACICLIB
SCH-727965
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 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 ROCILETINIB
CO-1686
CNX-419
AVL-301
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
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 Smiles=Cc1cc2c([nH]1)ccc(c2F)Oc3c4cc(c(cc4ncn3)OCCCN5CCCC5)OC
InChiKey=XXJWYDDUDKYVKI-UHFFFAOYSA-N
nan nan Achiral Molecule AZD-2171
AZD2171 MALEATE
AZD2171
RECENTIN
CEDIRANIB MALEATE
CEDIRANIB
ZD-2171
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
Smiles=CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c5ccc(cc5sc4n3)OCCN6CCOCC6
InChiKey=CVWXJKQAOSCOAB-UHFFFAOYSA-N
nan nan Achiral Molecule AC010220.2HCL
ASP-2689
AC010220
AC220
QUIZARTINIB DIHYDROCHLORIDE
QUIZARTINIB
AC-220
Erdafitinib
nan 3 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 nan FGFR1 Smiles=CC(C)NCCN(c1ccc2c(c1)nc(cn2)c3cnn(c3)C)c4cc(cc(c4)OC)OC
InChiKey=OLAHOMJCDNXHFI-UHFFFAOYSA-N
nan nan Achiral Molecule JNJ-42756493
ERDAFITINIB
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
Smiles=CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl
InChiKey=OUKYUETWWIPKQR-UHFFFAOYSA-N
nan nan Achiral Molecule AZD0530 DIFUMARATE
SARACATINIB DIFUMARATE
AZD-0530
AZD0530
SARACATINIB
AZ-10353926
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 Smiles=COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F
InChiKey=ZLHFILGSQDJULK-UHFFFAOYSA-N
nan nan Achiral Molecule MLN8237-004
MLN8237
ALISERTIB SODIUM
ALISERTIB
MLN-8237
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 Smiles=Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3F)Br)C(=O)NOCCO
InChiKey=ACWZRVQXLIRSDF-UHFFFAOYSA-N
2018 nan Achiral Molecule MEK162
ARRY-438162
BINIMETINIB
NVP-MEK162
MEK-162
ARRY-162
Pacritinib
nan 3 Cell Therapeutics ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
'6T3' 5lbz nan 0 472.2 5 68.7 7 1 4 nan JAK2 Smiles=c1cc2cc(c1)-c3ccnc(n3)Nc4ccc(c(c4)COC/C=C/COC2)OCCN5CCCC5
InChiKey=HWXVIOGONBBTBY-ONEGZZNKSA-N
nan nan Achiral Molecule SB-1518
ONX-0803
SB1518
PACRITINIB
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 Smiles=Cc1cc2c([nH]1)ccc(c2F)Oc3c4c(c(cn4ncn3)OC[C@@H](C)O)C
InChiKey=WCWUXEGQKLTGDX-LLVKDONJSA-N
nan nan Single Stereoisomer BRIVANIB
BMS-540215
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 Smiles=c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F
InChiKey=CWHUFRVAEUJCEF-UHFFFAOYSA-N
nan nan Achiral Molecule BKM120-NX
BKM-120
BUPARLISIB
BKM120-AAA
NVP-BKM120
BUPARLISIB HYDROCHLORIDE
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 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 Barasertib
AZD-1152
Savolitinib
nan 3 Astrazeneca ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
'V0L' 5lbw nan 0 345.1 1.9 91.6 9 0 3 nan MET Smiles=C[C@@H](c1ccc2nccn2c1)n3c4c(ncc(n4)c5cnn(c5)C)nn3
InChiKey=XYDNMOZJKOGZLS-NSHDSACASA-N
nan nan Single Stereoisomer SAVOLITINIB
AZD-6094
AZD6094
HMPL-504
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
Smiles=Cc1ccc(cc1Nc2nccc(n2)c3cnccn3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F
InChiKey=DUPWHXBITIZIKZ-UHFFFAOYSA-N
nan nan nan
SUPEC
IY5511HCL
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
Smiles=COc1ccc(cc1NCC(=O)O)CS(=O)(=O)/C=C/c2c(cc(cc2OC)OC)OC
InChiKey=OWBFCJROIKNMGD-BQYQJAHWSA-N
nan nan Achiral Molecule ON-01910
Estybon
ON-01910.Na
RIGOSERTIB SODIUM
ON 01910
RIGOSERTIB
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
Smiles=Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
InChiKey=JOOXLOJCABQBSG-UHFFFAOYSA-N
nan nan Achiral Molecule TG101348
TG-101348
SAR302503
FEDRATINIB
SAR-302503
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
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 SHR-1020
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 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
BYL-719
Alpelisib
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
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 HHGV-678
Flumatinib
Orantinib
nan 3 Pfizer ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'SU6' 4jlc 1 0 310.1 3.1 82.2 2 3 4 nan KDR
PDGFRB
FGFR1
Smiles=Cc1c(c([nH]c1/C=C\2/c3ccccc3NC2=O)C)CCC(=O)O
InChiKey=NHFDRBXTEDBWCZ-ZROIWOOFSA-N
nan nan Achiral Molecule TSU-68
Orantinib
SU-6668
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
Smiles=Cc1c(c2ccc(cc2o1)Oc3c4cc(c(cc4ncn3)OC)OC)C(=O)NC
InChiKey=BALLNEJQLSTPIO-UHFFFAOYSA-N
nan nan Single Stereoisomer HMP-013
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
Smiles=c1ccc2c(c1)c(nnc2Nc3ccc(cc3)Cl)Cc4ccncc4
InChiKey=YCOYDOIWSSHVCK-UHFFFAOYSA-N
nan nan Achiral Molecule PTK-787
VATALANIB
BAY-86-5127
ZK-222584
NVP-PTK787
PTK787
CGP-79787
CGP-79787D
K-222584
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 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 UPADACITINIB TARTRATE
UPADACITINIB
ABT-494
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 Smiles=c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5
InChiKey=RIJLVEAXPNLDTC-UHFFFAOYSA-N
nan nan Achiral Molecule G146034_101
G146034
GLPG0634
FILGOTINIB HYDROCHLORIDE
FILGOTINIB
GLPG-0634
Tivantinib
nan 3 Daiichi Sankyo ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
'TIV' 5cb4 nan 0 369.1 3.6 66.9 3 2 2 nan MET 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 TIVANTINIB
ARQ-197
ARQ 197
Umbralisib
nan 3 TG Therapeutics ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
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 UMBRALISIB
RP-5307
TGR-1202
UMBRALISIB TOSYLATE
TGR-1202 base
RP-5264
Peficitinib
nan 3 Astellas Pharma ChemSpider
ZINC
NaN NaN nan 0 326.2 2 104 4 4 3 nan JAK1
JAK2
JAK3
TYK2
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
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 Smiles=C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
InChiKey=OMZCMEYTWSXEPZ-UHFFFAOYSA-N
nan nan Achiral Molecule CANERTINIB
CANERTINIB DIHYDROCHLORIDE
SN-26606
CI-1033
PD-0183805
PD-183805
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 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 VOLASERTIB
BI 6727 CL3
VOLASERTIB TRIHYDROCHLORIDE
BI 6727
BI-6727
Pyrotinib
nan 3 Hengrui Therapeutics ChemSpider
ChEMBL
PubChem
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 2 582.2 6.5 112.4 8 2 10 nan EGFR
ERBB2
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
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
Smiles=Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
InChiKey=CYOHGALHFOKKQC-UHFFFAOYSA-N
nan nan Achiral Molecule ARRY-886
SELUMETINIB SULFATE
SELUMETINIB
AZD6244 HYDROGEN SULFATE
AZD6244 HYD-SULFATE
ARRY-142886
AZD-6244
AZD6244
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
Smiles=CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
InChiKey=RAHBGWKEPAQNFF-UHFFFAOYSA-N
nan nan Achiral Molecule MOTESANIB
AMG 706
MOTESANIB DIPHOSPHATE
Momelotinib
nan 3 Ym Biosciences Australia ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
NaN NaN nan 0 414.2 3 103.2 7 2 6 nan JAK1
JAK2
JAK3
Smiles=c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)C(=O)NCC#N
InChiKey=ZVHNDZWQTBEVRY-UHFFFAOYSA-N
nan nan Achiral Molecule MOMELOTINIB DIHYDROCHLORIDE
CYT-11387
GS-0387
CYT-387
MOMELOTINIB
CYT387
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 Smiles=COc1cc2c(cc1OCCN3CC4(CC4)C5(C3)OCCO5)c(ncn2)Nc6ccc(c(c6)Cl)F
InChiKey=OXWUWXCJDBRCCG-UHFFFAOYSA-N
nan nan nan SIM-6802
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
Smiles=Cc1c(cc(cc1F)C(=O)NC2CC2)c3ccc(cn3)C(=O)NCC(C)(C)C
InChiKey=KKYABQBFGDZVNQ-UHFFFAOYSA-N
nan nan Achiral Molecule LOSMAPIMOD
GW856553X
GSK-AHAB
GW-856553
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
Smiles=Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
InChiKey=WJEOLQLKVOPQFV-UHFFFAOYSA-N
nan nan Achiral Molecule Kinavet
AB-1010
Masivet
Masitinib
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
Smiles=CC1(COC1)COc2ccc3c(c2)ncn3c4ccc5cccc(c5n4)N6CCC(CC6)N
InChiKey=DYNHJHQFHQTFTP-UHFFFAOYSA-N
nan nan Achiral Molecule CRENOLANIB
CP-868596
CRENOLANIB BESYLATE
ARO-002
596-26
CP-868
ARO-002-26
Dacomitinib
nan 3 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 nan EGFR Smiles=COc1cc2c(cc1NC(=O)/C=C/CN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
InChiKey=LVXJQMNHJWSHET-AATRIKPKSA-N
nan nan Achiral Molecule PF-00299804
DACOMITINIB
PF-00299804-03
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 Smiles=Cc1cc([nH]c1/C=C\2/c3ccccc3NC2=O)C
InChiKey=WUWDLXZGHZSWQZ-WQLSENKSSA-N
nan nan Achiral Molecule SU5416
Semaxinib
SU-5416
SEMAXANIB
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
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
RG7440
IPATASERTIB
Gilteritinib
nan 3 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 nan FLT3
AXL
ALK
Smiles=CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5
InChiKey=GYQYAJJFPNQOOW-UHFFFAOYSA-N
nan nan Achiral Molecule ASP2215 HEMIFUMARATE
ASP2215
ASP-2215
GILTERITINIB FUMARATE
GILTERITINIB
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 Smiles=C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
InChiKey=UIARLYUEJFELEN-LROUJFHJSA-N
nan nan Single Stereoisomer CEP-701
LESTAURTINIB
SPM-924
SP-924
KT-555
A-154475.0
KT5555
A-154475
SP924
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
Smiles=Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F
InChiKey=MPVGZUGXCQEXTM-UHFFFAOYSA-N
nan nan Achiral Molecule AL-39324
RG-3635
ABT-869
LINIFANIB
Linsitinib
nan 3 Osi Pharmaceuticals ChemSpider
ChEMBL
PubChem
ZINC
BindingDB
NaN NaN nan 0 421.2 4.8 89.3 6 2 3 nan IGF1R Smiles=C[C@]1(C[C@@H](C1)c2n3c(c(ncc3)N)c(n2)c4cc5nc(ccc5cc4)c6ccccc6)O
InChiKey=PKCDDUHJAFVJJB-UHFFFAOYSA-N
nan nan Single Stereoisomer
Lorlatinib
nan 3 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 nan ALK
ROS1
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
nan nan Single Stereoisomer PF-06463922
LORLATINIB
Itacitinib
nan 3 Incyte Corporation ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
NaN NaN nan 1 553.2 3.6 119.6 8 1 5 nan JAK1 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
INCB039110 adipate
INCB-039110
INCB-39110
ITACITINIB ADIPATE
ITACITINIB
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 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 TAGRISSO
AZD9291
OSIMERTINIB MESYLATE
AZD-9291
OSIMERTINIB
AZD9291 mesylate
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 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
Smiles=Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C
InChiKey=PHXJVRSECIGDHY-UHFFFAOYSA-N
2012 US-8114874-B2 Achiral Molecule AP24534
ICLUSIG
PONATINIB
AP24534 HCL
PONATINIB HYDROCHLORIDE
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
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 PAZOPANIB HYDROCHLORIDE
GW786034B
GW-786034
VOTRIENT
PAZOPANIB
Erlotinib
Tarceva 4 Osi Pharmaceuticals ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'AQ4' 1m17 4hjo 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
Smiles=COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
InChiKey=AAKJLRGGTJKAMG-UHFFFAOYSA-N
2004 US-5747498-A Achiral Molecule CP-358774-01
RG-1415
R-1415
ERLOTINIB HYDROCHLORIDE
CP-358,774-01
OSI-774
TARCEVA
ERLOTINIB
Ro-508231
CP-358774
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
Smiles=CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
InChiKey=UHTHHESEBZOYNR-UHFFFAOYSA-N
2011 US-RE42353-E1 Achiral Molecule ZD-64
CAPRELSA
VANDETANIB
ZACTIMA
ZD6474
GNF-Pf-2188
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 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 ZELBORAF
VEMURAFENIB
RG 7204
PLX-4032
RO 5185426
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
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 OFEV
NINTEDANIB
Vargatef
BIBF 1120
NINTEDANIB ESYLATE
BIBF-1120
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 Smiles=C#Cc1cccc(c1)Nc2c3cc4c(cc3ncn2)OCCOCCOCCO4
InChiKey=QQLKULDARVNMAL-UHFFFAOYSA-N
2011 nan nan BPI-2009H
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
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 WAY-179272
NERATINIB
HKI-272
NERLYNX
NERATINIB MALEATE
CDP-820
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
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
LENVATINIB
ER-203492-00
E7080
KISPLYX
LENVATINIB MESYLATE
Lapatinib
nan 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
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 Lapatinib ditosylate monohydrate
GW-2016
TYVERB
TYKERB
GW572016F
Lapatinib
GW-572016
LAPATINIB DITOSYLATE
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 Smiles=CC[C@@H](c1nc2cccc(c2c(=O)n1c3ccccc3)F)Nc4c5c([nH]cn5)ncn4
InChiKey=IFSDAJWBUCMOAH-HNNXBMFYSA-N
2014 US-6800620-B2 Single Stereoisomer IDELALISIB
ZYDELIG
GS-1101
CAL-101
GS-11CAL-101
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
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 TRAMETINIB
MEKINIST
GSK1120212B
TRAMETINIB DIMETHYL SULFOXIDE
GSK1120212
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 Smiles=C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N
InChiKey=XYFPWWZEPKGCCK-GOSISDBHSA-N
2013 US-7514444-B2 Single Stereoisomer CRA-032765
IMBRUVICA
IBRUTINIB
PCI-32765-00
PCI-32765
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
Smiles=Cc1c2cnc(nc2n(c(=O)c1C(=O)C)C3CCCC3)Nc4ccc(cn4)N5CCNCC5
InChiKey=AHJRHEGDXFFMBM-UHFFFAOYSA-N
2015 US-6936612-B2 Achiral Molecule PD 0332991-0054
PD-0332991
IBRANCE
PALBOCICLIB
PALBOCICLIB ISETHIONATE
PF-00080665-73
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
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 LY-2835219
LY2835219
VERZENIO
ABEMACICLIB
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
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 NILOTINIB
TASIGNA
Nilotinib hydrochloride monohydrate
AMN 107
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
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 TOFACITINIB
TOFACITINIB CITRATE
CP-690550-10
TASOCITINIB
TASOCITINIB CITRATE
550
CP-690
CP-690550
XELJANZ
XELJANZ XR
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
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
SUNITINIB
Sutent
SU-11248
SUNITINIB MALATE
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
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
REGORAFENIB
STIVARGA
BAY 73-4506 MONOHYDRATE
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
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 BIBW2992
GIOTRIF
BIBW2992 MA2
AFATINIB
GILOTRIF
AFATINIB DIMALEATE
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 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
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
BMS-354825-03
DASATINIB
BMS-354825
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 Smiles=CCc1cc2c(cc1N3CCC(CC3)N4CCOCC4)C(c5c(c6ccc(cc6[nH]5)C#N)C2=O)(C)C
InChiKey=KDGFLJKFZUIJMX-UHFFFAOYSA-N
2015 US-9126931-B2 Achiral Molecule AF802
ALECTINIB HYDROCHLORIDE
ALECENSA
CH5424802
ALECTINIB
Acalabrutinib
Calquence 4 Astrazeneca ChemSpider
ChEMBL
PubChem
DrugBank
Guide to Pharmacology
ZINC
FDA SRS
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 Smiles=CC#CC(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5ccccn5
InChiKey=WDENQIQQYWYTPO-IBGZPJMESA-N
2017 US-9290504-B2 Single Stereoisomer ACALABRUTINIB
CALQUENCE
ACP-196
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 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
NVP-LDK378-NX
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
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 MESYLATE
GSK2118436A
GSK2118436B
TAFINLAR
METHANE SULFONATE SALT
DABRAFENIB
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
Smiles=C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4
InChiKey=KTEIFNKAUNYNJU-GFCCVEGCSA-N
2011 US-7230098-B2 Single Stereoisomer XALKORI
PF-2341066
CRIZOTINIB
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
Smiles=CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4ncn3
InChiKey=XUZMWHLSFXCVMG-UHFFFAOYSA-N
2017 nan Achiral Molecule LY-3009104
BARICITINIB
INCB028050
INCB-28050
Copanlisib
Aliqopa 4 Bayer ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
'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
Smiles=COc1c(ccc2c1N=C(N3C2=NCC3)NC(=O)c4cnc(nc4)N)OCCCN5CCOCC5
InChiKey=PZBCKZWLPGJMAO-UHFFFAOYSA-N
2017 US-7511041-B2 Achiral Molecule COPANLISIB
BAY-80-6946
COPANLISIB HYDROCHLORIDE
BAY 80-6946
COPANLISIB DIHYDROCHLORIDE
BAY 84-1236
ALIQOPA
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 nan FLT1
KDR
FLT4
Smiles=Cc1cc(no1)NC(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC
InChiKey=SPMVMDHWKHCIDT-UHFFFAOYSA-N
nan nan Achiral Molecule TIVOZANIB
KRN-951
KIL8951
Kil-8951
TIVOZANIB HYDROCHLORIDE
ASP-4130
AV-951
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 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 GDC-0973
COBIMETINIB FUMARATE
XL-518
COBIMETINIB
Cotellic
COTELLIC
RG-7421
RG 7420
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 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
nan nan Achiral Molecule FOSTAMATINIB DISODIUM
R788 FREE ACID
R935788 FREE ACID
FOSTAMATINIB
R788 SODIUM
R935788 SODIUM
R-935788
R-788
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
Smiles=COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F
InChiKey=ONIQOQHATWINJY-UHFFFAOYSA-N
2012 US-7579473-B2 Achiral Molecule CABOZANTINIB
COMETRIQ
CABOMETYX
CABOZANTINIB S-MALATE
XL184
BMS-907351
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 Smiles=N#CC1(CCCC1)c1ccc(cc1)NC(=O)c1cccnc1Nc1cnccc1C Cc1ccncc1Nc2c(cccn2)C(=O)Nc3ccc(cc3)C4(CCCC4)C#N
InChiKey=MGZNERAVOCFMCU-UHFFFAOYSA-N
2014 nan nan APATINIB TABLETS
AITAN
YN968D1
APATINIB
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
Smiles=CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
InChiKey=RITAVMQDGBJQJZ-FMIVXFBMSA-N
2012 US-6534524-B1 Achiral Molecule AXITINIB
AG-13736
AG-013736
INLYTA
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 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
Smiles=Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
InChiKey=KTUFNOKKBVMGRW-UHFFFAOYSA-N
2001 US-6894051-B1 Achiral Molecule GLIVEC
IMATINIB MESYLATE
IMATINIB MESILATE
STI-571
STI 571
Gleevec
GLEEVEC
IMATINIB
Gefitinib
Iressa 4 Astrazeneca ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
Guide to Pharmacology
ZINC
FDA SRS
BindingDB
'IRE' 2ito 2ity 2itz 3ug2 4i22 4wkq 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 Smiles=COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
InChiKey=XGALLCVXEZPNRQ-UHFFFAOYSA-N
2003 US-5770599-A Achiral Molecule ZD1839
GEFITINIB
IRESSA
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
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 SORAFENIB TOSYLATE
NEXAVAR
SORAFENIB
BAY 54-9085
BAY 43-9006
[11C]-Sorafenib
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
Smiles=c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
InChiKey=HFNKQEVNSGCOJV-OAHLLOKOSA-N
2011 US-7598257-B2 Single Stereoisomer JAKAVI
JAKAFI
INCB-018424
RUXOLITINIB PHOSPHATE
RUXOLITINIB
INCB018424 SALT
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
Smiles=CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5
InChiKey=RHXHGRAEPCAFML-UHFFFAOYSA-N
2017 US-8324225-B2 Achiral Molecule LEE-011
LEE011-BBA
RIBOCICLIB SUCCINATE
RIBOCICLIB
KISQALI
Ribociclib
NVP-LEE011
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 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
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 BOSUTINIB
SKI-606
BOSULIF
BOSUTINIB MONOHYDRATE
Brigatinib
Alunbrig 4 Ariad Pharmaceuticals ChemSpider
ChEMBL
PubChem
DrugBank
RCSB
PDBe
ZINC
FDA SRS
BindingDB
'6GY' 5j7h 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
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 AP26113
AP-26113
ALUNBRIG
BRIGATINIB