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
SMILES / InChI / InChIKey
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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
InChI Key AHYMHWXQRWRBKT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2021))
IUPAC Name Click here for help
3-[1-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile
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
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SynPHARM 83121 (in complex with MET proto-oncogene, receptor tyrosine kinase)