G 1 (GPER AGONIST)

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H18BrNO3
Molecular Weight	412.277
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)C1=CC=C2N[C@H]([C@H]3CC=C[C@H]3C2=C1)C4=CC5=C(OCO5)C=C4Br

InChI

InChIKey=VHSVKVWHYFBIFJ-HKZYLEAXSA-N

InChI=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

HIDE SMILES / InChI

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
G-protein coupled estrogen receptor 1 3 Target ID: Q99527\|\|\|Q99981 Gene ID: 2852.0 Gene Symbol: GPER1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/19664827	Agonist 2752		11.0 nM [Ki]

Name

Type

Language

G 1 (GPER AGONIST)

Common Name

English

G 1 (ANTI-TUMOR AGENT)

Preferred Name

English

G 1 (G PROTEIN-COUPLED ESTROGEN RECEPTOR AGONIST)

Common Name

English

ETHANONE, 1-((3AR,4S,9BS)-4-(6-BROMO-1,3-BENZODIOXOL-5-YL)-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA(C)QUINOLIN-8-YL)-, REL-

Systematic Name

English

Code System Code Type Description

FDA UNII

Y3V5BV7OKM

Created by admin on Wed Apr 02 04:38:43 GMT 2025 , Edited by admin on Wed Apr 02 04:38:43 GMT 2025

PRIMARY

CAS

881639-98-1

Created by admin on Wed Apr 02 04:38:43 GMT 2025 , Edited by admin on Wed Apr 02 04:38:43 GMT 2025

PRIMARY

EPA CompTox

DTXSID10389691

Created by admin on Wed Apr 02 04:38:43 GMT 2025 , Edited by admin on Wed Apr 02 04:38:43 GMT 2025

PRIMARY

SUBSTANCE RECORD


					Y3V5BV7OKM

G 1 (GPER AGONIST)