Bioactive Compound Details
| BioID | bio2293 |
|---|---|
| Name | AGLEPRISTONE |
| ChEMBL ID | CHEMBL2103998 |
| Molecular Formula | C29H37NO2 |
| Molecular Weight | 431.62 |
| Molecular Weight (Monoisotopic) | 431.2824 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | AGLEPRISTONA|AGLEPRISTONE|ALIZINE |
| Smiles | C/C=C\[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C |
| Inchi | InChI=1S/C29H37NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h5-7,9-10,15,17,24-26,32H,8,11-14,16,18H2,1-4H3/b15-5-/t24-,25+,26-,28-,29-/m0/s1 |
| Inchi Key | RTCKAOKDXNYXEH-FWSJOHTJSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 1.21 |
| Records Key | ['AGLEPRISTONE'] |
| Records Name | ['AGLEPRISTONE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
