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M  END
> <ID>
CHEBI:197437

> <NAME>
mocetinostat

> <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).

> <STAR>
3

> <SECONDARY_ID>
CHEBI:94525

> <SYNONYM>
N-(2-aminophenyl)-4-[[[4-(3-pyridinyl)-2-pyrimidinyl]amino]methyl]benzamide; MGCD0103; MGCD-0103; MGCD 0103; MG 0103

> <IUPAC_NAME>
N-(2-aminophenyl)-4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzamide

> <INN>
mocetinostatum; mocetinostat; mocetinostat; mocetinostat

> <FORMULA>
C23H20N6O

> <MASS>
396.454

> <MONOISOTOPIC_MASS>
396.16986

> <CHARGE>
0

> <SMILES>
NC1=C(NC(=O)C2=CC=C(CNC3=NC=CC(=N3)C3=CN=CC=C3)C=C2)C=CC=C1

> <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

> <CAS_REGISTRY_NUMBER>
726169-73-9

> <DRUGBANK_ACCESSION>
DB11830

> <KEGG_DRUG_ACCESSION>
D09641

> <LINCS_ACCESSION>
LSM-5344

> <WIKIPEDIA_ACCESSION>
Mocetinostat

> <PUBMED_CITATION>
17621879; 21554162; 22033282; 24588344; 26357656; 26464683; 28440559; 29186204; 29238851; 29978554; 30344659; 30473623; 30551546; 30570744; 31534435; 32194803; 32373984; 34002805; 34565105; 34983914; 35317122; 35678233; 36642966; 36890020; 37681413; 37759078

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