CHEBI:90217 - quizartinib

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ChEBI Name quizartinib
ChEBI ID CHEBI:90217
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB52514647, eMolecules:32176671, Selleckchem:AC-220, ZINC000043204002
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Formula C29H32N6O4S
Net Charge 0
Average Mass 560.669
Monoisotopic Mass 560.22057
InChI InChI=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)
InChIKey CVWXJKQAOSCOAB-UHFFFAOYSA-N
SMILES S1C2=C(N3C1=NC(=C3)C4=CC=C(NC(=O)NC5=NOC(C(C)(C)C)=C5)C=C4)C=CC(OCCN6CCOCC6)=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).
necroptosis inhibitor
Any substance that inhibits the process of necroptosis (programmed form of necrosis) in organisms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
quizartinib WHO MedNet
quizartinib WHO MedNet
quizartinib WHO MedNet
quizartinibum WHO MedNet
Synonyms Sources
AC 010220 ChemIDplus
AC 220 ChemIDplus
AC010220 ChemIDplus
AC220 ChemIDplus
N-(5-(1,1-Dimethylethyl)isoxazol-3-yl)-N'-(4-(7-(2-(morpholin-4-yl)ethoxy)imidazo(2,1-b)benzothiazol-2-yl)phenyl)urea ChemIDplus
Brand Name Source
Vanflyta DrugBank
Manual Xrefs Databases
D09955 KEGG DRUG
HMDB0257064 HMDB
LSM-1037 LINCS
P30 PDBeChem
Quizartinib Wikipedia
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Registry Numbers Types Sources
12981016 Reaxys Registry Number Reaxys
950769-58-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
16 April 2024