EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:91376 - ZM447439

ChEBI IDCHEBI:91376
ChEBI NameZM447439
Stars
DefinitionA member of the class of quinazolines that is quinazoline which is substituted at positions 4, 6 and 7 by a (4-benzamidophenyl)nitrilo group, methoxy group and a 3-(morpholin-4-yl)propoxy group, respectively. It is an ATP-competitive inhibitor of Aurora A and Aurora B kinases with IC50 of 110 nM and 130 nM, respectively.
Last Modified8 April 2019
DownloadsMolfile
FormulaC29H31N5O4
Net Charge0
Average Mass513.598
Monoisotopic Mass513.23760
SMILESCOc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32)
InChIKeyOGNYUTNQZVRGMN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Aurora kinase inhibitor  Any protein kinase inhibitor that inhibits the action of an Aurora kinase (a group of serine/threonine kinases that are essential for cell proliferation).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
ZM447439 (CHEBI:91376) has role antineoplastic agent (CHEBI:35610)
ZM447439 (CHEBI:91376) has role apoptosis inducer (CHEBI:68495)
ZM447439 (CHEBI:91376) has role Aurora kinase inhibitor (CHEBI:70770)
ZM447439 (CHEBI:91376) is a aromatic ether (CHEBI:35618)
ZM447439 (CHEBI:91376) is a benzamides (CHEBI:22702)
ZM447439 (CHEBI:91376) is a morpholines (CHEBI:38785)
ZM447439 (CHEBI:91376) is a polyether (CHEBI:46774)
ZM447439 (CHEBI:91376) is a quinazolines (CHEBI:38530)
ZM447439 (CHEBI:91376) is a secondary amino compound (CHEBI:50995)
ZM447439 (CHEBI:91376) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-[4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)phenyl]benzamide
Synonyms  Source
ZM447439ChemIDplus
ZM-447439ChemIDplus
ZM 447439ChEBI
N-(4-((6-methoxy-7-(3-(4-morpholinyl)propoxy)-4-quinazolinyl)amino)phenyl)benzamideChemIDplus
N-[4-[[6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-yl]amino]phenyl]benzamideChEBI
Manual XrefsDatabases
LSM-1096LINCS
447PDBeChem
ZM447439Wikipedia
2VRXPDB
Registry NumbersSources
CAS:331771-20-1ChemIDplus
Citations