| BioID | bio2168 |
|---|
| Name | LILOPRISTONE |
|---|
| ChEMBL ID | CHEMBL1908329 |
|---|
| Molecular Formula | C29H37NO3 |
|---|
| Molecular Weight | 447.62 |
|---|
| Molecular Weight (Monoisotopic) | 447.2773 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | LILOPRISTONA|LILOPRISTONE |
|---|
| Smiles | CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)/C=C\CO)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1 |
|---|
| Inchi | InChI=1S/C29H37NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h4-6,8-9,14,17,24-26,31,33H,7,10-13,15-16,18H2,1-3H3/b14-4-/t24-,25+,26-,28-,29-/m0/s1 |
|---|
| Inchi Key | RCOWGILQXUPXEW-FUSOFXSQSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | 1.33 |
|---|
| Records Key | ['LILOPRISTONE', 'Lilopristone', 'Lilopristone'] |
|---|
| Records Name | ['LILOPRISTONE', '(5R,7R)-5-(4-Dimethylamino-phenyl)-7-hydroxy-7-(3-hydroxy-propyl)-6a-methyl-4,5,6,6a,7,8,9,10,10a,10b,11,12-dodecahydro-3H-chrysen-2-one', 'Lilopristone'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
