5778 : 3‐[(1S,2S,4bS,10aR)‐1‐[2‐(furan‐3‐yl)ethyl]‐ 4b,8,8,10a‐tetramethyl‐tetradecahydrophenanthren‐2‐ yl]propan‐1‐ol
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 5778 |
| Name | 3‐[(1S,2S,4bS,10aR)‐1‐[2‐(furan‐3‐yl)ethyl]‐ 4b,8,8,10a‐tetramethyl‐tetradecahydrophenanthren‐2‐ yl]propan‐1‐ol |
| smile | C1C[C@@]2(C3CC[C@@H](CCCO)[C@H](CCC4C=COC=4)[C@@]3(C)CCC2C(C)(C)C1)C |
| weight | 401 |
| scaffold ID | 1603 |
| scaffold smile | c1cc(CCC2CCCC3C2CCC2CCCCC23)co1 |
Ligand Activities
| NR Protein | Protein Name | Ligand ID | Ligand Name | EC 50 |
|---|---|---|---|---|
| NR1H4 | Bile acid receptor | 5778 | 3‐[(1S,2S,4bS,10aR)‐1‐[2‐(furan‐3‐yl)ethyl]‐ 4b,8,8,10a‐tetramethyl‐tetradecahydrophenanthren‐2‐ yl]propan‐1‐ol | 30.0 |
Scaffold Activities Statistic