CHEBI:167658 - CP-724714

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ChEBI Name CP-724714
ChEBI ID CHEBI:167658
Definition A 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide in which the double bond adopts a trans-configuration. It is a potent inhibitor of HER2/ErbB2 (IC50 = 10 nM) and exhibits anti-cancer activity.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter R. Stephan
Supplier Information
Download Molfile XML SDF
Formula C27H27N5O3
Net Charge 0
Average Mass 469.545
Monoisotopic Mass 469.21139
InChI InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+
InChIKey LLVZBTWPGQVVLW-SNAWJCMRSA-N
SMILES COCC(=O)NC\C=C\C1=CC2=C(C=C1)N=CN=C2NC1=CC(C)=C(OC2=CN=C(C)C=C2)C=C1
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): 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).
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
hepatotoxic agent
A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing CP-724714 (CHEBI:167658) has role antineoplastic agent (CHEBI:35610)
CP-724714 (CHEBI:167658) has role apoptosis inducer (CHEBI:68495)
CP-724714 (CHEBI:167658) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
CP-724714 (CHEBI:167658) has role hepatotoxic agent (CHEBI:50908)
CP-724714 (CHEBI:167658) is a 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide (CHEBI:91331)
IUPAC Name
2-methoxy-N-[(2E)-3-(4-{3-methyl-4-[(6-methylpyridin-3-yl)oxy]anilino}quinazolin-6-yl)prop-2-en-1-yl]acetamide
Synonyms Sources
(E)-2-methoxy-N-[3-[4-[[3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl]amino]quinazolin-6-yl]allyl]ethanamide ChEBI
2-methoxy-N-[(2E)-3-[4-[[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]amino]-6-quinazolinyl]-2-propen-1-yl]-acetamide ChEBI
2-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin-3-yl)oxyanilino]quinazolin-6-yl]prop-2-enyl]acetamide ChEBI
CP 724714 ChemIDplus
CP-724,714 ChemIDplus
CP724714 ChEBI
Manual Xrefs Databases
8050601 ChemSpider
DB12302 DrugBank
LSM-42777 LINCS
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Registry Number Type Source
845680-17-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17285315 PubMed citation Europe PMC
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Last Modified
08 April 2021