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CHEBI:49960 - vandetanib

ChEBI IDCHEBI:49960
ChEBI Namevandetanib
Stars
DefinitionA quinazoline that is 7-[(1-methylpiperidin-4-yl)methoxy]quinazoline bearing additional methoxy and 4-bromo-2-fluorophenylamino substituents at positions 6 and 4 respectively. Used for the treatment of symptomatic or progressive medullary thyroid cancer in patients with unresectable locally advanced or metastatic disease.
Secondary ChEBI IDsCHEBI:38942, CHEBI:49959
Last Modified22 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H24BrFN4O2
Net Charge0
Average Mass475.362
Monoisotopic Mass474.10667
SMILESCOc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
InChIKeyUHTHHESEBZOYNR-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
tyrosine kinase inhibitor  Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
vandetanib (CHEBI:49960) has role antineoplastic agent (CHEBI:35610)
vandetanib (CHEBI:49960) has role tyrosine kinase inhibitor (CHEBI:38637)
vandetanib (CHEBI:49960) is a aromatic ether (CHEBI:35618)
vandetanib (CHEBI:49960) is a organobromine compound (CHEBI:37141)
vandetanib (CHEBI:49960) is a organofluorine compound (CHEBI:37143)
vandetanib (CHEBI:49960) is a piperidines (CHEBI:26151)
vandetanib (CHEBI:49960) is a quinazolines (CHEBI:38530)
vandetanib (CHEBI:49960) is a secondary amine (CHEBI:32863)
Incoming Relation(s)
linkable vandetanib analogue (CHEBI:39080) has functional parent vandetanib (CHEBI:49960)
IUPAC Name 
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
INN  Source
vandetanibKEGG DRUG
Synonyms  Source
4-BROMO-2-FLUORO-N-[(4E)-6-METHOXY-7-[(1-METHYLPIPERIDIN-4-YL)METHOXY]QUINAZOLIN-4(1H)-YLIDENE]ANILINEPDBeChem
ZD6474ChemIDplus
ZD 6474ChemIDplus
Brand Name  Source
ZactimaChemIDplus
Manual XrefsDatabases
ZD6PDBeChem
DB08764DrugBank
D06407KEGG DRUG
US2008199480Patent
WO2007036713Patent
US2006135486Patent
WO2005115145Patent
WO2012055015Patent
US2008032989Patent
WO2009024825Patent
WO2006005915Patent
WO2008001101Patent
WO2008007113Patent
VandetanibWikipedia
LSM-1199LINCS
4178DrugCentral
Registry NumbersSources
Reaxys:9161676Reaxys
CAS:443913-73-3ChemIDplus
Citations