Synonyms
Status
Molecule Category Free-form
UNII 15UDG410PN
EPA CompTox DTXSID20677253

Structure

InChI Key JRWCBEOAFGHNNU-UHFFFAOYSA-N
Smiles Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1
InChI
InChI=1S/C19H13F2N7/c1-27-11-13(10-23-27)16-6-7-17-24-25-18(28(17)26-16)19(20,21)14-4-5-15-12(9-14)3-2-8-22-15/h2-11H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H13F2N7
Molecular Weight 377.36
AlogP 3.21
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 3.0
Polar Surface Area 73.79
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Hepatocyte growth factor receptor inhibitor INHIBITOR Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- 0.95-9.5 - - 70.8-72.2
Unclassified protein
- 8.6 - - 70.8-72.2
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.95-15.8 - - -
Mus musculus
- 8.6-17.6 - - 70.8-72.2

Target Conservation

Protein: Hepatocyte growth factor receptor

Description: Hepatocyte growth factor receptor

Organism : Homo sapiens

P08581 ENSG00000105976

Cross References

Resources Reference
ChEBI 91417
ChEMBL CHEMBL2133806
DrugBank DB13113
FDA SRS 15UDG410PN
PubChem 46911863
SureChEMBL SCHEMBL182199
ZINC ZINC000043170515