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CHEBI:233579 - NCC-149

ChEBI IDCHEBI:233579
ChEBI NameNCC-149
Stars
DefinitionA member of the class of triazoles that is 1H-1,2,3-triazole substituted by (phenylsulfanyl)methyl and 3-(hydroxycarbamoyl)phenyl groups at positions 1 and 4, respectively. It is a potent and selective histone deacetylase 8 inhibitor.
Last Modified2 April 2025
SubmitterFlyBase
DownloadsMolfile
FormulaC16H14N4O2S
Net Charge0
Average Mass326.381
Monoisotopic Mass326.08375
SMILESO=C(NO)c1cccc(-c2cn(CSc3ccccc3)nn2)c1
InChIInChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21)
InChIKeyDORPIZJGSLWDIY-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)
NCC-149 (CHEBI:233579) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
NCC-149 (CHEBI:233579) is a aryl sulfide (CHEBI:35683)
NCC-149 (CHEBI:233579) is a benzamides (CHEBI:22702)
NCC-149 (CHEBI:233579) is a benzenes (CHEBI:22712)
NCC-149 (CHEBI:233579) is a hydroxamic acid (CHEBI:24650)
NCC-149 (CHEBI:233579) is a triazoles (CHEBI:35727)
IUPAC Name 
N-hydroxy-3-{1-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}benzamide
Synonyms  Source
N-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamideSUBMITTER
NCC 149ChEBI
NCC149ChEBI
N-hydroxy-3-(1-((phenylthio)methyl)-1H-1,2,3-triazol-4-yl)benzamideChEBI
N-hydroxy-3-[1-(phenylthio)methyl-1H-1,2,3-triazol-4-yl]benzamideChEBI
Manual XrefsDatabases
GM5PDBeChem
Registry NumbersSources
CAS:1316652-41-1SUBMITTER
Citations