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CHEBI:229221 - fruquintinib

ChEBI IDCHEBI:229221
ChEBI Namefruquintinib
Stars
DefinitionA 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.
Last Modified16 April 2024
SubmitterAdnan
DownloadsMolfile
FormulaC21H19N3O5
Net Charge0
Average Mass393.399
Monoisotopic Mass393.13247
SMILESCNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
InChIInChI=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)
InChIKeyBALLNEJQLSTPIO-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
vascular endothelial growth factor receptor antagonist  An antagonist at the vascular endothelial growth factor receptor.
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).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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
INNs  Source
fruquintinibWHO MedNet
fruquintinibumWHO MedNet
fruquintinibWHO MedNet
fruquintinibWHO MedNet
Synonym  Source
HMPL-013DrugBank
Brand Name  Source
FruzaqlaDrugBank
Manual XrefsDatabases
DB11679DrugBank
D11977KEGG DRUG
FruquintinibWikipedia
Registry NumbersSources
CAS:1194506-26-7KEGG DRUG
Citations