Bioactive Compound Details
| BioID | bio2259 |
|---|---|
| Name | ALFADOLONE |
| ChEMBL ID | CHEMBL2104019 |
| Molecular Formula | C21H32O4 |
| Molecular Weight | 348.48 |
| Molecular Weight (Monoisotopic) | 348.2301 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ALFADOLONA|ALFADOLONE|ALPHADOLONE|GR 2/1574 |
| Smiles | C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(C)CC(=O)[C@@H]12 |
| Inchi | InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,19+,20-,21-/m0/s1 |
| Inchi Key | XWYBFXIUISNTQG-VKMGZQQJSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 2.46 |
| Records Key | ['ALFADOLONE'] |
| Records Name | ['ALFADOLONE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
