EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:233955 - SBL-398

ChEBI IDCHEBI:233955
ChEBI NameSBL-398
Stars
DefinitionA member of the class of indoles that is 4,5,6,7-tetrahydro-1H-indole substituted by 4-(carboxymethyl)-1,3-thiazol-2-yl, phenyl, and 2-methylbutan-2-yl groups at positions 1, 2 and 5, respectively. It is an experimental compound used for the treatment of proximal spinal muscular atrophy.
Last Modified2 April 2025
SubmitterFlyBase
DownloadsMolfile
FormulaC24H28N2O2S
Net Charge0
Average Mass408.567
Monoisotopic Mass408.18715
SMILESCCC(C)(C)C1CCc2c(cc(-c3ccccc3)n2-c2nc(CC(=O)O)cs2)C1
InChIInChI=1S/C24H28N2O2S/c1-4-24(2,3)18-10-11-20-17(12-18)13-21(16-8-6-5-7-9-16)26(20)23-25-19(15-29-23)14-22(27)28/h5-9,13,15,18H,4,10-12,14H2,1-3H3,(H,27,28)
InChIKeyAXDCVSRAOWFONB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
SBL-398 (CHEBI:233955) is a 1,3-thiazoles (CHEBI:38418)
SBL-398 (CHEBI:233955) is a benzenes (CHEBI:22712)
SBL-398 (CHEBI:233955) is a indoles (CHEBI:24828)
SBL-398 (CHEBI:233955) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
{2-[5-(2-methylbutan-2-yl)-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl]-1,3-thiazol-4-yl}acetic acid
Synonyms  Source
2-[2-[5-(2-methylbutan-2-yl)-2-phenyl-4,5,6,7-tetrahydroindol-1-yl]-1,3-thiazol-4-yl]acetic acidSUBMITTER
SBL398ChEBI
SBL 398ChEBI
Citations