CHEBI:197437 - mocetinostat

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ChEBI Name mocetinostat
ChEBI ID CHEBI:197437
Definition A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 μM for HDAC1, HDAC2, HDAC3 and HDAC11).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Jonathan Muyskens
Secondary ChEBI IDs CHEBI:94525
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Formula C23H20N6O
Net Charge 0
Average Mass 396.454
Monoisotopic Mass 396.16986
InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
InChIKey HRNLUBSXIHFDHP-UHFFFAOYSA-N
SMILES NC1=C(NC(=O)C2=CC=C(CNC3=NC=CC(=N3)C3=CN=CC=C3)C=C2)C=CC=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 3.5.1.98 (histone deacetylase) inhibitor
An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98).
hepatotoxic agent
A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals.
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
autophagy inducer
Any compound that induces the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell).
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing mocetinostat (CHEBI:197437) has role antineoplastic agent (CHEBI:35610)
mocetinostat (CHEBI:197437) has role apoptosis inducer (CHEBI:68495)
mocetinostat (CHEBI:197437) has role autophagy inducer (CHEBI:138880)
mocetinostat (CHEBI:197437) has role cardioprotective agent (CHEBI:77307)
mocetinostat (CHEBI:197437) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
mocetinostat (CHEBI:197437) has role hepatotoxic agent (CHEBI:50908)
mocetinostat (CHEBI:197437) is a aminopyrimidine (CHEBI:38338)
mocetinostat (CHEBI:197437) is a benzamides (CHEBI:22702)
mocetinostat (CHEBI:197437) is a pyridines (CHEBI:26421)
mocetinostat (CHEBI:197437) is a secondary amino compound (CHEBI:50995)
mocetinostat (CHEBI:197437) is a secondary carboxamide (CHEBI:140325)
mocetinostat (CHEBI:197437) is a substituted aniline (CHEBI:48975)
IUPAC Name
N-(2-aminophenyl)-4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzamide
INNs Sources
mocetinostat WHO MedNet
mocetinostat WHO MedNet
mocétinostat WHO MedNet
mocetinostatum WHO MedNet
Synonyms Sources
MG 0103 ChEBI
MGCD 0103 ChEBI
MGCD-0103 DrugBank
MGCD0103 DrugBank
N-(2-aminophenyl)-4-[[[4-(3-pyridinyl)-2-pyrimidinyl]amino]methyl]benzamide ChEBI
Manual Xrefs Databases
D09641 KEGG DRUG
DB11830 DrugBank
HMDB0254820 HMDB
LSM-5344 LINCS
Mocetinostat Wikipedia
View more database links
Registry Number Type Source
726169-73-9 CAS Registry Number SUBMITTER
Citations Waiting for Citations Types Sources
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Last Modified
13 October 2023