5751 : propan‐2‐yl 2‐cyano‐4,4‐dimethyl‐6‐(oxane‐4‐ carbonyl)‐1H,4H,5H,6H,7H,8H‐pyrrolo[2,3‐d]azepine‐8‐ carboxylate
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 5751 |
| Name | propan‐2‐yl 2‐cyano‐4,4‐dimethyl‐6‐(oxane‐4‐ carbonyl)‐1H,4H,5H,6H,7H,8H‐pyrrolo[2,3‐d]azepine‐8‐ carboxylate |
| smile | C12NC(C#N)=CC=1C(C)(C)CN(C(C1CCOCC1)=O)CC2C(=O)OC(C)C |
| weight | 387 |
| scaffold ID | 1579 |
| scaffold smile | O=C(C1CCOCC1)N1CCc2cc[nH]c2CC1 |
Ligand Activities
| NR Protein | Protein Name | Ligand ID | Ligand Name | EC 50 |
|---|---|---|---|---|
| NR1H4 | Bile acid receptor | 5751 | propan‐2‐yl 2‐cyano‐4,4‐dimethyl‐6‐(oxane‐4‐ carbonyl)‐1H,4H,5H,6H,7H,8H‐pyrrolo[2,3‐d]azepine‐8‐ carboxylate | 3.3 |
Scaffold Activities Statistic