5949 : 3‐methyl‐1‐(2‐methylphenyl)‐4‐(4‐phenoxyphenyl)‐6‐ propyl‐1H,4H,6H,7H,8H‐pyrazolo[3,4‐ e][1,4]thiazepin‐7‐one
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 5949 |
| Name | 3‐methyl‐1‐(2‐methylphenyl)‐4‐(4‐phenoxyphenyl)‐6‐ propyl‐1H,4H,6H,7H,8H‐pyrazolo[3,4‐ e][1,4]thiazepin‐7‐one |
| smile | C1C=CC=C(OC2C=CC(C3SC(CCC)C(=O)NC4N(C5C=CC=CC=5C)N=C(C)C3=4)=CC=2)C=1 |
| weight | 484 |
| scaffold ID | 1596 |
| scaffold smile | O=C1CSC(c2ccc(Oc3ccccc3)cc2)c2cnn(-c3ccccc3)c2N1 |
Ligand Activities
| NR Protein | Protein Name | Ligand ID | Ligand Name | EC 50 |
|---|---|---|---|---|
| NR1H4 | Bile acid receptor | 5949 | 3‐methyl‐1‐(2‐methylphenyl)‐4‐(4‐phenoxyphenyl)‐6‐ propyl‐1H,4H,6H,7H,8H‐pyrazolo[3,4‐ e][1,4]thiazepin‐7‐one | 150.0 |
Scaffold Activities Statistic