Structure

InChI Key QFCXANHHBCGMAS-UHFFFAOYSA-N
Smiles CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c3ccoc23)ccn1
InChI
InChI=1S/C20H16ClN5O3/c1-22-19(27)16-10-12(6-8-23-16)11-29-20-17-15(7-9-28-17)18(25-26-20)24-14-4-2-13(21)3-5-14/h2-10H,11H2,1H3,(H,22,27)(H,24,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H16ClN5O3
Molecular Weight 409.83
AlogP 3.95
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 102.17
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Platelet-derived growth factor receptor beta inhibitor INHIBITOR PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1-15 - - -

Target Conservation

Protein: Platelet-derived growth factor receptor beta

Description: Platelet-derived growth factor receptor beta

Organism : Homo sapiens

P09619 ENSG00000113721
Protein: Stem cell growth factor receptor

Description: Mast/stem cell growth factor receptor Kit

Organism : Homo sapiens

P10721 ENSG00000157404
Protein: Vascular endothelial growth factor receptor 3

Description: Vascular endothelial growth factor receptor 3

Organism : Homo sapiens

P35916 ENSG00000037280
Protein: Vascular endothelial growth factor receptor 2

Description: Vascular endothelial growth factor receptor 2

Organism : Homo sapiens

P35968 ENSG00000128052

Cross References

Resources Reference
ChEMBL CHEMBL2079588
DrugBank DB15393
FDA SRS 18P7197Q7J
Guide to Pharmacology 10476
PharmGKB PA165980595
PubChem 9808844
SureChEMBL SCHEMBL1250560
ZINC ZINC000000590964