Molecule Details
| InChIKey | NOMBUNHXDWBICV-DQSJHHFOSA-N |
|---|---|
| Canonical SMILES | CN1CCN(CC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4ccc(C(=O)O)cc43)c3ccccc3)cc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.1 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 8.7 | IC50 | ChEMBL;BindingDB |
| O43741 | PRKAB2 | Homo sapiens | Human | PF16561 PF04739 | 8.3 | Ki | ChEMBL |
| P54619 | PRKAG1 | Homo sapiens | Human | PF00571 | 8.3 | Ki | ChEMBL |
| P54646 | PRKAA2 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 8.3 | Ki | ChEMBL;BindingDB |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 8.3 | Ki | ChEMBL |
| Q9UGI9 | PRKAG3 | Homo sapiens | Human | PF00571 | 8.3 | Ki | ChEMBL |
| Q9UGJ0 | PRKAG2 | Homo sapiens | Human | PF00571 | 8.3 | Ki | ChEMBL |
| Q9Y478 | PRKAB1 | Homo sapiens | Human | PF16561 PF04739 | 8.3 | Ki | ChEMBL |
| O60285 | NUAK1 | Homo sapiens | Human | PF00069 | 8.1 | Ki | ChEMBL;BindingDB |
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL;BindingDB |
| Q96RR4 | CAMKK2 | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL;BindingDB |