9549 : (1S)-12-acetyl-3,11-dihydroxy-N-[(3-hydroxynaphthalen-1-yl)methyl]-5-methoxy-1-methyl-13-oxo-8-oxatricyclo[7.4.0.0²,?]trideca-2,4,6,9,11-pentaene-6-carboxamide
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 9549 |
| Name | (1S)-12-acetyl-3,11-dihydroxy-N-[(3-hydroxynaphthalen-1-yl)methyl]-5-methoxy-1-methyl-13-oxo-8-oxatricyclo[7.4.0.0²,?]trideca-2,4,6,9,11-pentaene-6-carboxamide |
| smile | COC1=CC(=C2C(=C1C(NCC1=CC(=CC3=CC=CC=C13)O)=O)OC1=CC(O)=C(C([C@@]21C)=O)C(C)=O)O |
| weight | 501 |
| 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 | 9549 | (1S)-12-acetyl-3,11-dihydroxy-N-[(3-hydroxynaphthalen-1-yl)methyl]-5-methoxy-1-methyl-13-oxo-8-oxatricyclo[7.4.0.0²,?]trideca-2,4,6,9,11-pentaene-6-carboxamide | 0.13 |
Scaffold Activities Statistic