fruquintinib (CHEBI:229221)

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ChEBI Name	fruquintinib

ChEBI ID	CHEBI:229221

Definition	A member of the class of quinazolines that is quinazoline substituted by [2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy, methoxy, and methoxy groups at positions 4, 6, and 7, respectively. It is a highly potent and selective inhibitor of VEGFR 1, 2 and 3 (IC₅₀ = 33, 0.35, and 35 nM) used for the treatment of metastatic colorectal cancer.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C21H19N3O5

Net Charge

Average Mass

393.399

Monoisotopic Mass

393.13247

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)

InChIKey

BALLNEJQLSTPIO-UHFFFAOYSA-N

SMILES

CNC(=O)C1=C(C)OC2=C1C=CC(OC1=NC=NC3=C1C=C(OC)C(OC)=C3)=C2

Roles Classification
Biological Role(s):	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1). vascular endothelial growth factor receptor antagonist An antagonist at the vascular endothelial growth factor receptor.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	fruquintinib (CHEBI:229221) has role antineoplastic agent (CHEBI:35610) fruquintinib (CHEBI:229221) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434) fruquintinib (CHEBI:229221) has role vascular endothelial growth factor receptor antagonist (CHEBI:65207) fruquintinib (CHEBI:229221) is a 1-benzofurans (CHEBI:38830) fruquintinib (CHEBI:229221) is a aromatic ether (CHEBI:35618) fruquintinib (CHEBI:229221) is a quinazolines (CHEBI:38530) fruquintinib (CHEBI:229221) is a secondary carboxamide (CHEBI:140325)

IUPAC Name

6-[(6,7-dimethoxyquinazolin-4-yl)oxy]-N,2-dimethyl-1-benzofuran-3-carboxamide

Synonym	Source
HMPL-013	DrugBank

Brand Name	Source
Fruzaqla	DrugBank

Registry Number	Type	Source
1194506-26-7	CAS Registry Number	KEGG DRUG

Last Modified

16 April 2024