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CHEBI:90187 - LY 117018
| Formula | C27H25NO4S |
| Net Charge | 0 |
| Average Mass | 459.567 |
| Monoisotopic Mass | 459.15043 |
| SMILES | O=C(c1ccc(OCCN2CCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 |
| 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 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | estrogen receptor antagonist An antagonist at the estrogen receptor. |
| Applications: | 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. 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. estrogen receptor antagonist An antagonist at the estrogen receptor. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 N-alkylpyrrolidine (CHEBI:46775) |
| LY 117018 (CHEBI:90187) is a 1-benzothiophenes (CHEBI:38836) |
| 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 | Source |
|---|---|
| 6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl 4-[2-(1-pyrrolidinyl)ethoxy] phenyl ketone | ChemIDplus |
| LY-117018 | ChemIDplus |
| Lilly 117018 | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4239522 | Reaxys |
| CAS:63676-25-5 | ChemIDplus |
| Citations |
|---|