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CHEBI:142489 - CHIC-35

ChEBI IDCHEBI:142489
ChEBI NameCHIC-35
Stars
DefinitionAn organic heterotricyclic compound resulting from the formal fusion of the 2-3 bond of 5-chloroindole with the 2-3 bond of cycloheptanecarboxamide (the S enantiomer). It is a potent, cell-permeable, metabolically stable and selective inhibitor of the deacetylase SIRT1.
Last Modified2 November 2018
SubmitterCeri
DownloadsMolfile
FormulaC14H15ClN2O
Net Charge0
Average Mass262.740
Monoisotopic Mass262.08729
SMILESNC(=O)[C@H]1CCCCc2c1nc1ccc(Cl)cc21
InChIInChI=1S/C14H15ClN2O/c15-8-5-6-12-11(7-8)9-3-1-2-4-10(14(16)18)13(9)17-12/h5-7,10,17H,1-4H2,(H2,16,18)/t10-/m0/s1
InChIKeyABIVOOWWGYJNLV-JTQLQIEISA-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)
CHIC-35 (CHEBI:142489) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
CHIC-35 (CHEBI:142489) is a aromatic compound (CHEBI:33655)
CHIC-35 (CHEBI:142489) is a organic heterotricyclic compound (CHEBI:26979)
CHIC-35 (CHEBI:142489) is a organochlorine compound (CHEBI:36683)
CHIC-35 (CHEBI:142489) is a primary carboxamide (CHEBI:140324)
IUPAC Name 
(6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide
Synonyms  Source
Compound (S)-35SUBMITTER
SIRT1 Inhibitor IV, (S)-35SUBMITTER
Registry NumbersSources
Reaxys:10274604Reaxys
CAS:848193-72-6SUBMITTER
Citations