CHEBI:156296 - G-1

ChEBI IDCHEBI:156296
ChEBI NameG-1
Stars
DefinitionAn organic heterotricyclic compound that is 3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline substituted by 6-bromo-1,3-benzodioxol-5-yl and acetyl groups at positions 4 and 8, respectively (the 3aS,4R,9bR-stereoisomer). It is a potent and selective GPER1 agonist (Ki = 11 nM).
Last Modified10 September 2024
Submittersabrina, zfin
DownloadsMolfile
FormulaC21H18BrNO3
Net Charge0
Average Mass412.283
Monoisotopic Mass411.04701
SMILES[H][C@@]12C=CC[C@]1([H])[C@H](c1cc3c(cc1Br)OCO3)Nc1ccc(C(C)=O)cc12
InChIInChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1
InChIKeyVHSVKVWHYFBIFJ-HKZYLEAXSA-N
Roles Classification
Biological Roles:
microtubule-destabilising agent  Any substance that interacts with tubulin to inhibit polymerisation of microtubules.
G-protein-coupled receptor agonist  An agonist that binds to and activates G-protein-coupled receptors
anti-obesity agent  Any substance which is used to reduce or control weight.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
G-1 (CHEBI:156296) has role anti-obesity agent (CHEBI:74518)
G-1 (CHEBI:156296) has role antihypertensive agent (CHEBI:35674)
G-1 (CHEBI:156296) has role antineoplastic agent (CHEBI:35610)
G-1 (CHEBI:156296) has role G-protein-coupled receptor agonist (CHEBI:70998)
G-1 (CHEBI:156296) has role microtubule-destabilising agent (CHEBI:61951)
G-1 (CHEBI:156296) is a aromatic ketone (CHEBI:76224)
G-1 (CHEBI:156296) is a benzodioxole (CHEBI:38733)
G-1 (CHEBI:156296) is a methyl ketone (CHEBI:51867)
G-1 (CHEBI:156296) is a organic heterotricyclic compound (CHEBI:26979)
G-1 (CHEBI:156296) is a organobromine compound (CHEBI:37141)
IUPAC Name 
1-[(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone
Synonyms  Source
G1ChEBI
G 1ChEBI
Registry NumbersSources
CAS:881639-98-1SUBMITTER
Citations