BMS-777607

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Synonyms
Status
Molecule Category Free-form
UNII A3MMS6HDO1
EPA CompTox DTXSID50145278

Structure

InChI Key VNBRGSXVFBYQNN-UHFFFAOYSA-N
Smiles CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H19ClF2N4O4
Molecular Weight 512.9
AlogP 5.19
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 108.47
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
Hepatocyte growth factor receptor inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- 78 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- - - - 35-100
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Alk family
- - - - 79.9
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Axl family
- 1.1-14 - - 92-112.6
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- - - - 0-78
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Eph family
- - - - 97.3
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- - - - 0-74.8
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase InsR family
- - - - 26.4
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- 1.8-213.8 - - 92.8-96
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 16-144 - - 85.9-91.5
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- 594 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Sev family
- - - - 91.2
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 120 - - 85.4
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- 190-290 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 138.7-180 - - 94.5-99.1
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RAF family
- - - - 0-95
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 1 subfamily
- - - - 1.8
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1.8-594 - - 0-112.6
Mus musculus
- 188.4 - - -

Target Conservation

Protein: Hepatocyte growth factor receptor
Description: Hepatocyte growth factor receptor
Organism : Homo sapiens
P08581 ENSG00000105976

Cross References

Resources Reference
ChEBI 91409
ChEMBL CHEMBL460702
DrugBank DB12064
FDA SRS A3MMS6HDO1
Guide to Pharmacology 7953
PDB 353
PubChem 24794418
SureChEMBL SCHEMBL2588311
ZINC ZINC000039716080
CONTENTS