5568 : methyl 3-[4-[2-[2-chloro-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-phenylethoxy]phenyl]propanoate (anilinohexafluoroisopropanol 54)
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 5568 |
| Name | methyl 3-[4-[2-[2-chloro-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-phenylethoxy]phenyl]propanoate (anilinohexafluoroisopropanol 54) |
| smile | CCN(C(C1=CC=CC=C1)COC1=CC=C(CCC(OC)=O)C=C1)C1=C(Cl)C=C(C(O)(C(F)(F)F)C(F)(F)F)C=C1 |
| weight | 604 |
| scaffold ID | 383 |
| scaffold smile | c1ccc(NC(COc2ccccc2)c2ccccc2)cc1 |
Ligand Activities
| NR Protein | Protein Name | Ligand ID | Ligand Name | EC 50 |
|---|---|---|---|---|
| NR1H2 | Oxysterols receptor LXR-beta | 5568 | methyl 3-[4-[2-[2-chloro-N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-phenylethoxy]phenyl]propanoate (anilinohexafluoroisopropanol 54) | 0.6 |
Scaffold Activities Statistic