CHEBI:195529 - AOH1996

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ChEBI Name AOH1996
ChEBI ID CHEBI:195529
Definition A secondary carboxamide resulting from the formal condensation of the carboxy group of N-(naphthalen-1-ylcarbonyl)glycine with the amino group of 2-(3-methoxyphenoxy)aniline. It is a first-in-class small molecule inhibitor of PCNA, a protein essential for DNA replication and repair within tumours.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
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Formula C26H22N2O4
Net Charge 0
Average Mass 426.472
Monoisotopic Mass 426.15796
InChI InChI=1S/C26H22N2O4/c1-31-19-10-7-11-20(16-19)32-24-15-5-4-14-23(24)28-25(29)17-27-26(30)22-13-6-9-18-8-2-3-12-21(18)22/h2-16H,17H2,1H3,(H,27,30)(H,28,29)
InChIKey HDMONPHKMIZXDH-UHFFFAOYSA-N
SMILES COC1=CC(OC2=CC=CC=C2NC(=O)CNC(=O)C2=CC=CC3=CC=CC=C23)=CC=C1
Roles Classification
Biological Role(s): apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
PCNA inhibitor
An inhibitor that interferes with the action of PCNA.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing AOH1996 (CHEBI:195529) has role antineoplastic agent (CHEBI:35610)
AOH1996 (CHEBI:195529) has role apoptosis inducer (CHEBI:68495)
AOH1996 (CHEBI:195529) has role PCNA inhibitor (CHEBI:195530)
AOH1996 (CHEBI:195529) is a aromatic ether (CHEBI:35618)
AOH1996 (CHEBI:195529) is a diether (CHEBI:46786)
AOH1996 (CHEBI:195529) is a monomethoxybenzene (CHEBI:25235)
AOH1996 (CHEBI:195529) is a naphthalenecarboxamide (CHEBI:48739)
AOH1996 (CHEBI:195529) is a secondary carboxamide (CHEBI:140325)
IUPAC Name
N-{2-[2-(3-methoxyphenoxy)anilino]-2-oxoethyl}naphthalene-1-carboxamide
Synonyms Sources
AOH 1996 ChEBI
AOH-1996 ChEBI
Manual Xref Database
AOH1996 Wikipedia
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Registry Number Type Source
2089314-64-5 CAS Registry Number ChEBI
Citation Waiting for Citations Type Source
37531956 PubMed citation Europe PMC
Last Modified
07 August 2023