AG-13958

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Synonyms
Status
Molecule Category Free-form
UNII BK72RP7F7D

Structure

InChI Key JXSVVZKPEDIRTN-DHZHZOJOSA-N
Smiles Cc1cc(C(=O)Nc2cc(Nc3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)ccc2F)n(C)n1
InChI
InChI=1S/C26H22FN7O/c1-16-13-25(34(2)33-16)26(35)30-24-15-19(7-10-21(24)27)29-18-6-9-20-22(31-32-23(20)14-18)11-8-17-5-3-4-12-28-17/h3-15,29H,1-2H3,(H,30,35)(H,31,32)/b11-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H22FN7O
Molecular Weight 467.51
AlogP 5.31
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 100.52
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Vascular endothelial growth factor receptor inhibitor INHIBITOR Other

Target Conservation

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 CHEMBL3545335
FDA SRS BK72RP7F7D
PubChem 9934283
SureChEMBL SCHEMBL5247290
ZINC ZINC000034037183
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