Synonyms
Status
Molecule Category Free-form
UNII H3I42X8XX7

Structure

InChI Key DZFZXPPHBWCXPQ-UHFFFAOYSA-N
Smiles Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1
InChI
InChI=1S/C23H23N7O3/c1-13-4-7-16(11-17(13)24-23(32)18-10-14(2)27-29(18)3)33-21-9-8-20-25-19(12-30(20)28-21)26-22(31)15-5-6-15/h4,7-12,15H,5-6H2,1-3H3,(H,24,32)(H,26,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H23N7O3
Molecular Weight 445.48
AlogP 3.47
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 115.44
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Platelet-derived growth factor receptor inhibitor INHIBITOR PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.093-18 - - -

Target Conservation

Protein: Platelet-derived growth factor receptor

Description: Platelet-derived growth factor receptor beta

Organism : Homo sapiens

P09619 ENSG00000113721
Protein: Platelet-derived growth factor receptor

Description: Platelet-derived growth factor receptor alpha

Organism : Homo sapiens

P16234 ENSG00000134853
Protein: Vascular endothelial growth factor receptor

Description: Vascular endothelial growth factor receptor 1

Organism : Homo sapiens

P17948 ENSG00000102755
Protein: Vascular endothelial growth factor receptor

Description: Vascular endothelial growth factor receptor 3

Organism : Homo sapiens

P35916 ENSG00000037280
Protein: Vascular endothelial growth factor receptor

Description: Vascular endothelial growth factor receptor 2

Organism : Homo sapiens

P35968 ENSG00000128052

Cross References

Resources Reference
ChEMBL CHEMBL2180604
DrugBank DB13093
FDA SRS H3I42X8XX7
PubChem 24767976
SureChEMBL SCHEMBL2515478
ZINC ZINC000095579919