General Information of the Compound
Compound ID
CP0016487
Compound Name
BMS-777607
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Synonyms
1025720-94-8
1196681-44-3
A3MMS6HDO1
ASLAN-002
BMS 777607
BMS-777607
BMS777607
N-(4-((2-amino-3-chloropyridin-4-yl)oxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
N-(4-(2-Amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
N-[4-[(2-Amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
UNII-A3MMS6HDO1
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Structure
Formula
C25H19ClF2N4O4
Molecular Weight
512.9
Canonical SMILES
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
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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)
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InChIKey
VNBRGSXVFBYQNN-UHFFFAOYSA-N
CAS
1025720-94-8
Physicochemical Property
logP
5.1896
Rotatable Bonds
7
Heavy Atom Count
36
Polar Areas
108.47
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
36

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 24794418
SID: 49738159
ChEMBL ID
CHEMBL460702
DrugBank ID
DB12064
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01201, Hepatocyte growth factor receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000413 MKN45
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 46.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2.6 nM
2 IC50 = 3.7 nM
3 IC50 = 3.9 nM
4 IC50 = 7 nM
5 IC50 = 7.6 nM
6 IC50 = 12 nM
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000216 NCI-N87
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
CL000281 NCI-H1993
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 150 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( BMS-777607 )
Drug Name BMS-777607
Target(s)
Proto-oncogene c-Met (MET)
 Target Info 
Inhibitor