3694 : 2-{2-methyl-4-[(1-{4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}-2-(pentafluorophenyl)ethyl)sulfanyl]phenoxy}acetic acid
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 3694 |
| Name | 2-{2-methyl-4-[(1-{4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}-2-(pentafluorophenyl)ethyl)sulfanyl]phenoxy}acetic acid |
| smile | CC1=CC(=CC=C1OCC(O)=O)SC(C1SC(C2=CC=C(C(F)(F)F)C=C2)=NC=1C)CC1=C(C(=C(C(=C1F)F)F)F)F |
| weight | 634 |
| scaffold ID | 165 |
| scaffold smile | c1nc(-c2ccccc2)sc1C(Cc1ccccc1)Sc1ccccc1 |
Ligand Activities
| NR Protein | Protein Name | Ligand ID | Ligand Name | EC 50 |
|---|---|---|---|---|
| NR1C1 | Peroxisome proliferator activated receptor alpha | 3694 | 2-{2-methyl-4-[(1-{4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}-2-(pentafluorophenyl)ethyl)sulfanyl]phenoxy}acetic acid | 10.0 |
Scaffold Activities Statistic