TAFETINIB

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Synonyms
Status
Molecule Category Free-form
UNII H4X2M2NN5N

Structure

InChI Key KGSRYTUWXUESJK-FXBPSFAMSA-N
Smiles CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(F)cc21
InChI
InChI=1S/C24H29FN4O2/c1-4-29(5-2)12-11-26-23(30)20-14(3)27-22-16(20)7-6-8-17(22)21-18-13-15(25)9-10-19(18)28-24(21)31/h9-10,13,27H,4-8,11-12H2,1-3H3,(H,26,30)(H,28,31)/b21-17-

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29FN4O2
Molecular Weight 424.52
AlogP 3.73
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 77.23
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 1.3-10.1 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- 1.3-5 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 1.3-5 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1.3-520 - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL2180602
FDA SRS H4X2M2NN5N
Guide to Pharmacology 9921
PubChem 56935577
SureChEMBL SCHEMBL12056459
ZINC ZINC000095575309
CONTENTS