Molecule Details
| InChIKey | PABLVBARXHFRFL-DRZDCGDWSA-N |
|---|---|
| Canonical SMILES | [C]C1([C])C2=C3[C]=C4[C]([C][C][N+]5=C4C([C])([C])c4cc([C]C(=O)[N][C][C][C][C][C@@H]([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(=O)[C@@H]([C][C][C]N=C([N])[N])[N]C(=O)[C][C][C][C][C][C][C][N][C][C][N]S(=O)(=O)c6cccc7cnccc67)C([N])=O)ccc45)O[C]3[C][C]N2c2ccc(S([C])(=O)=O)cc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.28 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 8.9 | Kd | BindingDB |
| Q13976 | PRKG1 | Homo sapiens | Human | PF00027 PF16808 PF00069 | 8.9 | Kd | BindingDB |
| P23443 | RPS6KB1 | Homo sapiens | Human | PF00069 PF00433 | 8.2 | Kd | BindingDB |
| O75582 | RPS6KA5 | Homo sapiens | Human | PF00069 PF00433 | 7.9 | Kd | BindingDB |
| O00141 | SGK1 | Homo sapiens | Human | PF00069 PF00433 | 7.5 | Kd | BindingDB |