10452 : (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 10452 |
| Name | (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol |
| smile | CC(C1CCC2C1(C)CCC1C2C(O)C=C2C1(C)CCC(O)C2)CCC1C(C)(C)O1 |
| weight | 417 |
| scaffold ID | 150 |
| scaffold smile | C1=C2CCCCC2C2CCC3C(CCCC4CO4)CCC3C2C1 |
Ligand Activities
| NR Protein | Protein Name | Ligand ID | Ligand Name | EC 50 |
|---|---|---|---|---|
| NR1H3 | Oxysterols receptor LXR-alpha | 10452 | (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol | 8.0 |
Scaffold Activities Statistic