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CHEBI:90217 - quizartinib

ChEBI IDCHEBI:90217
ChEBI Namequizartinib
Stars
DefinitionA member of the class of phenylureas that is urea in which one of the amino groups has been substituted by a 5-tert-butyl-1,2-oxazol-3-yl group while the other has been substituted by a phenyl group substituted at the para- position by an imidazo[2,1-b][1,3]benzothiazol-2-yl group that, in turn, is substituted at position 7 by a 2-(morpholin-4-yl)ethoxy group.
Last Modified16 April 2024
SubmitterGareth Owen
DownloadsMolfile
FormulaC29H32N6O4S
Net Charge0
Average Mass560.680
Monoisotopic Mass560.22057
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1
InChIInChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
InChIKeyCVWXJKQAOSCOAB-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
necroptosis inhibitor  Any substance that inhibits the process of necroptosis (programmed form of necrosis) in organisms.
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)
quizartinib (CHEBI:90217) has role antineoplastic agent (CHEBI:35610)
quizartinib (CHEBI:90217) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
quizartinib (CHEBI:90217) has role necroptosis inhibitor (CHEBI:167704)
quizartinib (CHEBI:90217) is a benzoimidazothiazole (CHEBI:48904)
quizartinib (CHEBI:90217) is a isoxazoles (CHEBI:55373)
quizartinib (CHEBI:90217) is a morpholines (CHEBI:38785)
quizartinib (CHEBI:90217) is a phenylureas (CHEBI:134043)
IUPAC Name 
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea
INNs  Source
quizartinibWHO MedNet
quizartinibWHO MedNet
quizartinibumWHO MedNet
quizartinibWHO MedNet
Synonyms  Source
AC 220ChemIDplus
N-(5-(1,1-Dimethylethyl)isoxazol-3-yl)-N'-(4-(7-(2-(morpholin-4-yl)ethoxy)imidazo(2,1-b)benzothiazol-2-yl)phenyl)ureaChemIDplus
AC220ChemIDplus
AC010220ChemIDplus
AC 010220ChemIDplus
Brand Name  Source
VanflytaDrugBank
Manual XrefsDatabases
D09955KEGG DRUG
P30PDBeChem
QuizartinibWikipedia
LSM-1037LINCS
HMDB0257064HMDB
Registry NumbersSources
Reaxys:12981016Reaxys
CAS:950769-58-1ChemIDplus
Citations