FRUQUINTINIB

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Synonyms
Status
Molecule Category Free-form
UNII 49DXG3M5ZW

Structure

InChI Key BALLNEJQLSTPIO-UHFFFAOYSA-N
Smiles CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
InChI
InChI=1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H19N3O5
Molecular Weight 393.4
AlogP 3.85
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 95.71
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 29.0

Pharmacology

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

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 CHEMBL4303214
FDA SRS 49DXG3M5ZW
Guide to Pharmacology 9428
PubChem 44480399
SureChEMBL SCHEMBL947183
ZINC ZINC000114898570
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