4936 : (2R)-3-[4-[(E)-5-[4-[(E)-5-[4-[(2R)-2-carboxy-2-ethoxyethyl]phenoxy]-3-methylpent-3-en-1-ynyl]phenyl]-3-methylpent-2-en-4-ynoxy]phenyl]-2-ethoxypropanoic acid
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 4936 |
| Name | (2R)-3-[4-[(E)-5-[4-[(E)-5-[4-[(2R)-2-carboxy-2-ethoxyethyl]phenoxy]-3-methylpent-3-en-1-ynyl]phenyl]-3-methylpent-2-en-4-ynoxy]phenyl]-2-ethoxypropanoic acid |
| smile | O(CC)[C@@H](C(=O)O)CC1C=CC(=CC=1)OC/C=C(/C#CC1C=CC(C#C/C(/C)=C/COC2C=CC(=CC=2)C[C@H](C(=O)O)OCC)=CC=1)\C |
| weight | 651 |
| scaffold ID | 592 |
| scaffold smile | C(#Cc1ccc(C#CC=CCOc2ccccc2)cc1)C=CCOc1ccccc1 |
Ligand Activities
| NR Protein | Protein Name | Ligand ID | Ligand Name | EC 50 |
|---|---|---|---|---|
| NR1C1 | Peroxisome proliferator activated receptor alpha | 4936 | (2R)-3-[4-[(E)-5-[4-[(E)-5-[4-[(2R)-2-carboxy-2-ethoxyethyl]phenoxy]-3-methylpent-3-en-1-ynyl]phenyl]-3-methylpent-2-en-4-ynoxy]phenyl]-2-ethoxypropanoic acid | 1.2 |
Scaffold Activities Statistic