Bioactive Compound Details
| BioID | bio2041 |
|---|---|
| Name | TORIPRISTONE |
| ChEMBL ID | CHEMBL2105533 |
| Molecular Formula | C31H39NO2 |
| Molecular Weight | 457.66 |
| Molecular Weight (Monoisotopic) | 457.2981 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | TORIPRISTONA|TORIPRISTONE |
| Smiles | CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(C)C)cc3)C[C@@]21C |
| Inchi | InChI=1S/C31H39NO2/c1-6-16-31(34)17-15-28-26-13-9-22-18-24(33)12-14-25(22)29(26)27(19-30(28,31)4)21-7-10-23(11-8-21)32(5)20(2)3/h7-8,10-11,18,20,26-28,34H,9,12-15,17,19H2,1-5H3/t26-,27+,28-,30-,31-/m0/s1 |
| Inchi Key | LOIYXTZQBQVHSF-PABOLRIOSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 1.04 |
| Records Key | ['TORIPRISTONE'] |
| Records Name | ['TORIPRISTONE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
