9544 : (1S)-12-acetyl-3,11-dihydroxy-5-methoxy-N-{[3-(methoxymethyl)naphthalen-1-yl]methyl}-1-methyl-13-oxo-8-oxatricyclo[7.4.0.0²,?]trideca-2(7),3,5,9,11-pentaene-6-carboxamide
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 9544 |
| Name | (1S)-12-acetyl-3,11-dihydroxy-5-methoxy-N-{[3-(methoxymethyl)naphthalen-1-yl]methyl}-1-methyl-13-oxo-8-oxatricyclo[7.4.0.0²,?]trideca-2(7),3,5,9,11-pentaene-6-carboxamide |
| smile | COCC1=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 |
| weight | 530 |
| 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 | 9544 | (1S)-12-acetyl-3,11-dihydroxy-5-methoxy-N-{[3-(methoxymethyl)naphthalen-1-yl]methyl}-1-methyl-13-oxo-8-oxatricyclo[7.4.0.0²,?]trideca-2(7),3,5,9,11-pentaene-6-carboxamide | 0.2 |
Scaffold Activities Statistic