CHEBI:49960 - vandetanib

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ChEBI Name vandetanib
ChEBI ID CHEBI:49960
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:38942, CHEBI:49959
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Formula C22H24BrFN4O2
Net Charge 0
Average Mass 475.35412
Monoisotopic Mass 474.107
InChI InChI=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)
InChIKey UHTHHESEBZOYNR-UHFFFAOYSA-N
SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): tyrosine kinase inhibitor
Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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 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
vandetanib KEGG DRUG
Synonyms Sources
4-BROMO-2-FLUORO-N-[(4E)-6-METHOXY-7-[(1-METHYLPIPERIDIN-4-YL)METHOXY]QUINAZOLIN-4(1H)-YLIDENE]ANILINE PDBeChem
ZD 6474 ChemIDplus
ZD6474 ChemIDplus
Brand Name Source
Zactima ChemIDplus
Manual Xrefs Databases
4178 DrugCentral
D06407 KEGG DRUG
DB08764 DrugBank
LSM-1199 LINCS
US2006135486 Patent
US2008032989 Patent
US2008199480 Patent
Vandetanib Wikipedia
WO2005115145 Patent
WO2006005915 Patent
WO2007036713 Patent
WO2008001101 Patent
WO2008007113 Patent
WO2009024825 Patent
WO2012055015 Patent
ZD6 PDBeChem
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Registry Numbers Types Sources
443913-73-3 CAS Registry Number ChemIDplus
9161676 Reaxys Registry Number Reaxys
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Last Modified
22 February 2017