TEPOTINIB

Search structure
Synonyms:
Status: Approved (2021)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01EX21
UNII: 1IJV77EI07

Structure
InChI Key AHYMHWXQRWRBKT-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 96.93
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Hepatocyte growth factor receptor inhibitor PubMed PubMed
Primary Target
MET proto-oncogene, receptor tyrosine kinase
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 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 4 D009369 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1100598-32-0
ChEMBL CHEMBL3402762
DrugBank DB15133
EPA CompTox DTXSID70149132
FDA SRS 1IJV77EI07
Guide to Pharmacology 8293
PDB 3E8
PubChem 25171648
SureChEMBL SCHEMBL1296895
ZINC ZINC000043202335
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