Bioactive Compound Details
| BioID | bio2172 |
|---|---|
| Name | QUINESTRADOL |
| ChEMBL ID | CHEMBL2107004 |
| Molecular Formula | C23H32O3 |
| Molecular Weight | 356.51 |
| Molecular Weight (Monoisotopic) | 356.2351 |
| Type | Small molecule |
| Max Phase | Phase 4 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | COLPOVIS|PENTOVIS|QUINESTRADIOL|QUINESTRADOL |
| Smiles | C[C@]12CC[C@@H]3c4ccc(OC5CCCC5)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O |
| Inchi | InChI=1S/C23H32O3/c1-23-11-10-18-17-9-7-16(26-15-4-2-3-5-15)12-14(17)6-8-19(18)20(23)13-21(24)22(23)25/h7,9,12,15,18-22,24-25H,2-6,8,10-11,13H2,1H3/t18-,19-,20+,21-,22+,23+/m1/s1 |
| Inchi Key | ODYKCPYPRCJXLY-PZORDLPLSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 1.85 |
| Records Key | ['QUINESTRADOL', 'QUINESTRADOL'] |
| Records Name | ['QUINESTRADOL', 'QUINESTRADOL'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
