BMS-777607   Click here for help

GtoPdb Ligand ID: 7953

Synonyms: BMS 777607 | BMS777607
PDB Ligand
Compound class: Synthetic organic
Comment: BMS-777607is a selective and orally bioavailable MET tyrosine kinase (hepatocyte growth factor receptor) inhibitor with potential antineoplastic activity. Its discovery is described by Schroeder et al. (2009) [1] where it is compound 10. It also has significant activity against other receptor tyrosine kinases, with details presented in the Biological activity tab..
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 107.95
Molecular weight 512.11
XLogP 5.24
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCOc1ccn(c(=O)c1C(=O)Nc1ccc(c(c1)F)Oc1ccnc(c1Cl)N)c1ccc(cc1)F
Isomeric SMILES CCOc1ccn(c(=O)c1C(=O)Nc1ccc(c(c1)F)Oc1ccnc(c1Cl)N)c1ccc(cc1)F
InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
InChI Key VNBRGSXVFBYQNN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[4-(2-amino-3-chloropyridin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
Synonyms Click here for help
BMS 777607 | BMS777607
Database Links Click here for help
CAS Registry No. 1196681-44-3
ChEMBL Ligand CHEMBL460702
GtoPdb PubChem SID 249565636
PubChem CID 24794418
RCSB PDB Ligand 353
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