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CHEBI:156295 - G-15

ChEBI IDCHEBI:156295
ChEBI NameG-15
Stars
DefinitionAn organic heterotricyclic compound that is 3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline substituted by a 6-bromo-1,3-benzodioxol-5-yl group at position 4 (the 3aS,4R,9bR-stereoisomer). It is a high affinity and selective GPER1 receptor antagonist (Ki = 20 nM) which inhibits the anti-depressive effects of estrogen in vivo.
Last Modified10 September 2024
Submittersabrina, zfin
DownloadsMolfile
FormulaC19H16BrNO2
Net Charge0
Average Mass370.246
Monoisotopic Mass369.03644
SMILES[H][C@@]12C=CC[C@]1([H])[C@H](c1cc3c(cc1Br)OCO3)Nc1ccccc12
InChIInChI=1S/C19H16BrNO2/c20-15-9-18-17(22-10-23-18)8-14(15)19-13-6-3-5-11(13)12-4-1-2-7-16(12)21-19/h1-5,7-9,11,13,19,21H,6,10H2/t11-,13-,19+/m0/s1
InChIKeyYOLTZIVRJAPVPH-MJLGCCKJSA-N
Roles Classification
Biological Role:
G-protein-coupled receptor antagonist  An antagonist at G-protein-coupled receptor.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
G-15 (CHEBI:156295) has role antineoplastic agent (CHEBI:35610)
G-15 (CHEBI:156295) has role G-protein-coupled receptor antagonist (CHEBI:88295)
G-15 (CHEBI:156295) is a benzodioxole (CHEBI:38733)
G-15 (CHEBI:156295) is a organic heterotricyclic compound (CHEBI:26979)
G-15 (CHEBI:156295) is a organobromine compound (CHEBI:37141)
IUPAC Name 
(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Synonyms  Source
G15ChEBI
G 15ChEBI
Registry NumbersSources
CAS:1161002-05-6SUBMITTER
Citations