9551 : methyl 4-[4-({[(1S)-12-acetyl-3,11-dihydroxy-5-methoxy-1-methyl-13-oxo-8-oxatricyclo[7.4.0.0²,?]trideca-2(7),3,5,9,11-pentaen-6-yl]formamido}methyl)naphthalen-2-yl]butanoate
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 9551 |
| Name | methyl 4-[4-({[(1S)-12-acetyl-3,11-dihydroxy-5-methoxy-1-methyl-13-oxo-8-oxatricyclo[7.4.0.0²,?]trideca-2(7),3,5,9,11-pentaen-6-yl]formamido}methyl)naphthalen-2-yl]butanoate |
| smile | COC(CCCC1=CC(=C2C=CC=CC2=C1)CNC(C1=C(C=C(C2=C1OC1=CC(O)=C(C([C@@]21C)=O)C(C)=O)O)OC)=O)=O |
| weight | 586 |
| scaffold ID | 459 |
| scaffold smile | O=C(NCc1cccc2ccccc21)c1cccc2c1OC1=CC=CC(=O)C21 |
Ligand Activities
| NR Protein | Protein Name | Ligand ID | Ligand Name | EC 50 |
|---|---|---|---|---|
| NR1C3 | Peroxisome proliferator activated receptor gamma | 9551 | methyl 4-[4-({[(1S)-12-acetyl-3,11-dihydroxy-5-methoxy-1-methyl-13-oxo-8-oxatricyclo[7.4.0.0²,?]trideca-2(7),3,5,9,11-pentaen-6-yl]formamido}methyl)naphthalen-2-yl]butanoate | 0.042 |
Scaffold Activities Statistic