tepotinib   Click here for help

GtoPdb Ligand ID: 8293

Synonyms: compound 22 [PMID: 25736998] | EMD 1214063 | EMD-1214063 | MSC2156119 | MSC2156119J | Tepmetko®
Approved drug PDB Ligand
tepotinib is an approved drug (FDA (2021))
Compound class: Synthetic organic
Comment: Tepotinib is a potent and selective, orally available inhibitor of MET tyrosine kinase [1]. It was designed to inhibit the pro-oncogenic signalling caused by MET gene alterations that occur in 3-5% of NSCLC cases, and which correlate with poor prognosis.

Novel tepotinib derivatives are being assessed for antiproliferative activity [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 96.93
Molecular weight 492.23
XLogP 4.13
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1cccc(c1)c1ccc(=O)n(n1)Cc1cccc(c1)c1ncc(cn1)OCC1CCN(CC1)C
Isomeric SMILES N#Cc1cccc(c1)c1ccc(=O)n(n1)Cc1cccc(c1)c1ncc(cn1)OCC1CCN(CC1)C
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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2021))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9934 tepotinib
Synonyms Click here for help
compound 22 [PMID: 25736998] | EMD 1214063 | EMD-1214063 | MSC2156119 | MSC2156119J | Tepmetko®
Database Links Click here for help
CAS Registry No. 1100598-32-0 (source: Scifinder)
GtoPdb PubChem SID 252166505
PubChem CID 25171648
RCSB PDB Ligand 3E8
Search Google for chemical match using the InChIKey AHYMHWXQRWRBKT-UHFFFAOYSA-N
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SynPHARM 83121 (in complex with MET proto-oncogene, receptor tyrosine kinase)