Molecule Details
| InChIKey | BBJXVAVUGRNQFP-JCUPRAGWSA-N |
|---|---|
| Canonical SMILES | [N]C(=O)[C@@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@@H]([C][C][C]N=C([N])[N])[N]C(=O)[C][C][C][C][C][N][C][C][N]S(=O)(=O)c1cccc2cnccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.75 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 8.6 | IC50 | BindingDB |
| P23443 | RPS6KB1 | Homo sapiens | Human | PF00069 PF00433 | 8.2 | IC50 | BindingDB |
| Q9Y243 | AKT3 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 7.5 | IC50 | BindingDB |
| Q13976 | PRKG1 | Homo sapiens | Human | PF00027 PF16808 PF00069 | 7.4 | IC50 | BindingDB |
| O75582 | RPS6KA5 | Homo sapiens | Human | PF00069 PF00433 | 7.1 | IC50 | BindingDB |