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CHEBI:90371 - (S)-selisistat

Default Structure
ChEBI IDCHEBI:90371
ChEBI Name(S)-selisistat
Stars
ASCII Name(S)-selisistat
DefinitionA 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide that has S configuration It is the active enantiomer.
Last Modified25 February 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC13H13ClN2O
Net Charge0
Average Mass248.713
Monoisotopic Mass248.07164
SMILESNC(=O)[C@H]1CCCc2c1nc1ccc(Cl)cc21
InChIInChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)/t9-/m0/s1
InChIKeyFUZYTVDVLBBXDL-VIFPVBQESA-N
Roles Classification
Biological Role:
Sir1 inhibitor  An EC 3.5.1.98 (histone deacetylase) inhibitor that interferes with the action of Sir1.
ChEBI Ontology
Outgoing Relation(s)
(S)-selisistat (CHEBI:90371) has role Sir1 inhibitor (CHEBI:90375)
(S)-selisistat (CHEBI:90371) is a 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (CHEBI:90369)
(S)-selisistat (CHEBI:90371) is enantiomer of (R)-selisistat (CHEBI:90370)
Incoming Relation(s)
rac-selisistat (CHEBI:90196) has part (S)-selisistat (CHEBI:90371)
(R)-selisistat (CHEBI:90370) is enantiomer of (S)-selisistat (CHEBI:90371)
IUPAC Name 
(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
Synonyms  Source
EX-243ChEBI
EX-527 (S)-enantiomerChEBI
Manual XrefsDatabases
LSM-6271LINCS
OCZPDBeChem