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CHEBI:140475 - MC1568

ChEBI IDCHEBI:140475
ChEBI NameMC1568
Stars
DefinitionA hydroxamic acid that is N-methylpyrrole which is substituted at positions 2 and 5 by 3-(hydroxyamino)-3-oxoprop-1-en-1-yl and 3-(m-fluorophenyl)-3-oxoprop-1-en-1-yl groups, respectively. It is a potent and selective inhibitor of class II (IIa) histone deacetylase (HDAC II).
Last Modified26 March 2018
SubmitterTheOtherDave
DownloadsMolfile
FormulaC17H15FN2O3
Net Charge0
Average Mass314.316
Monoisotopic Mass314.10667
SMILES[H]C(C(=O)NO)=C([H])c1ccc(C([H])=C([H])C(=O)c2cccc(F)c2)n1C
InChIInChI=1S/C17H15FN2O3/c1-20-14(5-6-15(20)8-10-17(22)19-23)7-9-16(21)12-3-2-4-13(18)11-12/h2-11,23H,1H3,(H,19,22)
InChIKeyQQDIFLSJMFDTCQ-UHFFFAOYSA-N
Roles Classification
Biological Role:
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).
ChEBI Ontology
Outgoing Relation(s)
MC1568 (CHEBI:140475) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
MC1568 (CHEBI:140475) is a aromatic ketone (CHEBI:76224)
MC1568 (CHEBI:140475) is a enone (CHEBI:51689)
MC1568 (CHEBI:140475) is a hydroxamic acid (CHEBI:24650)
MC1568 (CHEBI:140475) is a monofluorobenzenes (CHEBI:83575)
MC1568 (CHEBI:140475) is a pyrroles (CHEBI:26455)
IUPAC Name 
3-{5-[3-(3-fluorophenyl)-3-oxoprop-1-en-1-yl]-1-methyl-1H-pyrrol-2-yl}-N-hydroxyacrylamide
Synonym  Source
MC-1568ChEBI
Registry NumbersSources
Reaxys:26700969Reaxys
CAS:852475-26-4SUBMITTER
Citations