Bioactive Compound Details
| BioID | bio139758 |
|---|---|
| Name | TIXOCORTOL PIVALATE |
| ChEMBL ID | CHEMBL2107112 |
| Molecular Formula | C26H38O5S |
| Molecular Weight | 462.65 |
| Molecular Weight (Monoisotopic) | 462.244 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar87 |
| Target Name | None |
| Synonyms | CORTISOL 21-THIOL|JO-1016|TIXOCORTOL|TIXOCORTOL 21-PIVALATE|TIXOCORTOL PIVALATE|TIXOCORTOL-21-PIVALATE |
| Smiles | CC(C)(C)C(=O)SCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C |
| Inchi | InChI=1S/C26H38O5S/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-19,21,28,31H,6-11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1 |
| Inchi Key | BISFDZNIUZIKJD-XDANTLIUSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 1.65 |
| Records Key | ['TIXOCORTOL PIVALATE', 'TIXOCORTOL PIVALATE'] |
| Records Name | ['TIXOCORTOL PIVALATE', 'TIXOCORTOL PIVALATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
