Bioactive Compound Details
| BioID | bio101598 |
|---|---|
| Name | ELOCALCITOL |
| ChEMBL ID | CHEMBL3545094 |
| Molecular Formula | C29H44O3 |
| Molecular Weight | 440.67 |
| Molecular Weight (Monoisotopic) | 440.329 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar89 |
| Target Name | None |
| Synonyms | BXL-628|Elocalcitol|Ro-26-9228 |
| Smiles | C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@@H](C)C/C=C/C(O)(CC)CC)=CCC23)C[C@@H](O)C[C@@H]1O |
| Inchi | InChI=1S/C29H44O3/c1-6-29(32,7-2)17-8-10-20(3)25-14-15-26-22(11-9-16-28(25,26)5)12-13-23-18-24(30)19-27(31)21(23)4/h8,12-14,17,20,24,26-27,30-32H,4,6-7,9-11,15-16,18-19H2,1-3,5H3/b17-8+,22-12+,23-13-/t20-,24+,26?,27-,28+/m0/s1 |
| Inchi Key | XDBOQJCMEXOPMU-BAHYQGKPSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 2.42 |
| Records Key | ['ELOCALCITOL'] |
| Records Name | ['ELOCALCITOL'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
