CHEBI:91376 - ZM447439

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ChEBI Name ZM447439
ChEBI ID CHEBI:91376
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C29H31N5O4
Net Charge 0
Average Mass 513.598
Monoisotopic Mass 513.23760
InChI InChI=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)
InChIKey OGNYUTNQZVRGMN-UHFFFAOYSA-N
SMILES C(C=1C=CC=CC1)(=O)NC=2C=CC(=CC2)NC=3N=CN=C4C=C(C(=CC34)OC)OCCCN5CCOCC5
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): 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).
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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 Sources
N-(4-((6-methoxy-7-(3-(4-morpholinyl)propoxy)-4-quinazolinyl)amino)phenyl)benzamide ChemIDplus
N-[4-[[6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-yl]amino]phenyl]benzamide ChEBI
ZM 447439 ChEBI
ZM-447439 ChemIDplus
ZM447439 ChemIDplus
Manual Xrefs Databases
2VRX PDB
447 PDBeChem
LSM-1096 LINCS
ZM447439 Wikipedia
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Registry Number Type Source
331771-20-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
08 April 2019