CHEBI:90187 - LY 117018

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ChEBI Name LY 117018
ChEBI ID CHEBI:90187
Definition A member of the class of 1-benzothiophenes that is raloxifene in which the piperidin-1-yl group has been replaced by a pyrrolidin-1-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H25NO4S
Net Charge 0
Average Mass 459.559
Monoisotopic Mass 459.15043
InChI InChI=1S/C27H25NO4S/c29-20-7-3-19(4-8-20)27-25(23-12-9-21(30)17-24(23)33-27)26(31)18-5-10-22(11-6-18)32-16-15-28-13-1-2-14-28/h3-12,17,29-30H,1-2,13-16H2
InChIKey JLERVPBPJHKRBJ-UHFFFAOYSA-N
SMILES S1C(=C(C2=C1C=C(O)C=C2)C(=O)C3=CC=C(OCCN4CCCC4)C=C3)C5=CC=C(O)C=C5
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): estrogen receptor antagonist
An antagonist at the estrogen receptor.
Application(s): estrogen receptor antagonist
An antagonist at the estrogen receptor.
estrogen receptor modulator
A substance that possess antiestrogenic actions but can also produce estrogenic effects as well. It acts as complete or partial agonist or as antagonist. It can be either steroidal or nonsteroidal in structure.
bone density conservation agent
An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing LY 117018 (CHEBI:90187) has role bone density conservation agent (CHEBI:50646)
LY 117018 (CHEBI:90187) has role estrogen receptor antagonist (CHEBI:50792)
LY 117018 (CHEBI:90187) has role estrogen receptor modulator (CHEBI:50739)
LY 117018 (CHEBI:90187) is a 1-benzothiophenes (CHEBI:38836)
LY 117018 (CHEBI:90187) is a N-alkylpyrrolidine (CHEBI:46775)
LY 117018 (CHEBI:90187) is a aromatic ketone (CHEBI:76224)
LY 117018 (CHEBI:90187) is a phenols (CHEBI:33853)
IUPAC Name
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}methanone
Synonyms Sources
6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl 4-[2-(1-pyrrolidinyl)ethoxy] phenyl ketone ChemIDplus
Lilly 117018 ChemIDplus
LY-117018 ChemIDplus
Registry Numbers Types Sources
4239522 Reaxys Registry Number Reaxys
63676-25-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10533160 PubMed citation Europe PMC
10649447 PubMed citation Europe PMC
3342088 PubMed citation Europe PMC
6644235 PubMed citation Europe PMC
6872943 PubMed citation Europe PMC
9500493 PubMed citation Europe PMC
Last Modified
03 November 2015