TEPOTINIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC L01EX21
UNII 1IJV77EI07
EPA CompTox DTXSID70149132

Structure

InChI Key AHYMHWXQRWRBKT-UHFFFAOYSA-N
Smiles CN1CCC(COc2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1
InChI
InChI=1S/C29H28N6O2/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H28N6O2
Molecular Weight 492.58
AlogP 4.01
Hydrogen Bond Acceptor 8.0
Number of Rotational Bond 7.0
Polar Surface Area 96.93
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 37.0

Pharmacology

Mechanism of Action Action Reference
Hepatocyte growth factor receptor inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- 3-12 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 3-12 - - -

Target Conservation

Protein: Hepatocyte growth factor receptor
Description: Hepatocyte growth factor receptor
Organism : Homo sapiens
P08581 ENSG00000105976

Cross References

Resources Reference
ChEMBL CHEMBL3402762
DrugBank DB15133
FDA SRS 1IJV77EI07
Guide to Pharmacology 8293
PDB 3E8
PubChem 25171648
SureChEMBL SCHEMBL1296895
ZINC ZINC000043202335
CONTENTS