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
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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)
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
AXL receptor tyrosine kinase Hs Inhibitor Inhibition 9.0 pIC50 - 1
pIC50 9.0 (IC50 1.1x10-9 M) [1]
macrophage stimulating 1 receptor Primary target of this compound Hs Inhibitor Inhibition 8.7 pIC50 - 1
pIC50 8.7 (IC50 1.8x10-9 M) [1]
MET proto-oncogene, receptor tyrosine kinase Primary target of this compound Hs Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 3.9x10-9 M) [1]
TYRO3 protein tyrosine kinase Hs Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 4.3x10-9 M) [1]
MER proto-oncogene, tyrosine kinase Hs Inhibitor Inhibition 7.8 pIC50 - 1
pIC50 7.8 (IC50 1.4x10-8 M) [1]