EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:100922 - SB 505124

ChEBI IDCHEBI:100922
ChEBI NameSB 505124
Stars
DefinitionA member of the class of imidazoles carrying tert-butyl, 1,3-benzodioxol-5-yl and 6-methylpyridin-2-yl substituents at positions 2, 4 and 5 respectively.
Last Modified8 July 2016
DownloadsMolfile
FormulaC20H21N3O2
Net Charge0
Average Mass335.407
Monoisotopic Mass335.16338
SMILESCc1cccc(-c2nc(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C20H21N3O2/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15/h5-10H,11H2,1-4H3,(H,22,23)
InChIKeyWGZOTBUYUFBEPZ-UHFFFAOYSA-N
Roles Classification
Biological Role:
TGFbeta receptor antagonist  An antagonist that binds to and deactivates TGFβ receptors.
ChEBI Ontology
Outgoing Relation(s)
SB 505124 (CHEBI:100922) has role TGFβ receptor antagonist (CHEBI:91202)
SB 505124 (CHEBI:100922) is a benzodioxole (CHEBI:38733)
SB 505124 (CHEBI:100922) is a imidazoles (CHEBI:24780)
SB 505124 (CHEBI:100922) is a methylpyridines (CHEBI:25340)
IUPAC Name 
2-[4-(2H-1,3-benzodioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]-6-methylpyridine
Synonyms  Source
2-[4-(1,3-benzodioxol-5-yl)-2-(1,1-dimethylethyl)-1H-imidazol-5-yl]-6-methyl-pyridinChEBI
SB505124ChEBI
SB-505124ChEBI
Registry NumbersSources
Reaxys:11751238Reaxys
Citations