3687 : 2-[4-({2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-{4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}ethyl}sulfanyl)-2-methylphenoxy]acetic acid
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 3687 |
| Name | 2-[4-({2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-{4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}ethyl}sulfanyl)-2-methylphenoxy]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=CC=C1C(F)(F)F)F |
| weight | 630 |
| 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 | 3687 | 2-[4-({2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-{4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}ethyl}sulfanyl)-2-methylphenoxy]acetic acid | 10.0 |
Scaffold Activities Statistic