4653 : (11S)-13-acetyl-9,14-dihydroxy-5-methoxy-11-methyl-N-[(2-nitrophenyl)methyl]-3,12-dioxo-6,17-dioxa-4-azatetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadeca-1,7,9,13,15-pentaene-4-carboxamide
Ligand Basic Message
| Ligand | Scaffold |
|---|---|
 |  |
| ID | 4653 |
| Name | (11S)-13-acetyl-9,14-dihydroxy-5-methoxy-11-methyl-N-[(2-nitrophenyl)methyl]-3,12-dioxo-6,17-dioxa-4-azatetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadeca-1,7,9,13,15-pentaene-4-carboxamide |
| smile | COC1OC2=CC(=C3C(=C2C(N1C(NCC1=CC=CC=C1[N+]([O-])=O)=O)=O)OC1=CC(O)=C(C([C@@]31C)=O)C(C)=O)O |
| weight | 551 |
| scaffold ID | 1240 |
| scaffold smile | O=C(NCc1ccccc1)N1COc2ccc3c(c2C1=O)OC1=CC=CC(=O)C31 |
Ligand Activities
| NR Protein | Protein Name | Ligand ID | Ligand Name | EC 50 |
|---|---|---|---|---|
| NR1C3 | Peroxisome proliferator activated receptor gamma | 4653 | (11S)-13-acetyl-9,14-dihydroxy-5-methoxy-11-methyl-N-[(2-nitrophenyl)methyl]-3,12-dioxo-6,17-dioxa-4-azatetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadeca-1,7,9,13,15-pentaene-4-carboxamide | 1.6 |
Scaffold Activities Statistic