2991 : 2-{[4-({2-[(4-hydroxybut-2-yn-1-yl)oxy]-4-[4-(trifluoromethyl)phenoxymethyl]phenyl}sulfanyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy}acetic acid
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 2991 |
| Name | 2-{[4-({2-[(4-hydroxybut-2-yn-1-yl)oxy]-4-[4-(trifluoromethyl)phenoxymethyl]phenyl}sulfanyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy}acetic acid |
| smile | OCC#CCOC1=CC(=CC=C1SC1=CC=C(C2CCCCC1=2)OCC(O)=O)COC1=CC=C(C(F)(F)F)C=C1 |
| weight | 573 |
| scaffold ID | 290 |
| scaffold smile | c1ccc(OCc2ccc(Sc3cccc4c3CCCC4)cc2)cc1 |
Ligand Activities
| NR Protein | Protein Name | Ligand ID | Ligand Name | EC 50 |
|---|---|---|---|---|
| NR1C3 | Peroxisome proliferator activated receptor gamma | 2991 | 2-{[4-({2-[(4-hydroxybut-2-yn-1-yl)oxy]-4-[4-(trifluoromethyl)phenoxymethyl]phenyl}sulfanyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy}acetic acid | 5.9 |
Scaffold Activities Statistic