Molecule Details
| InChIKey | WZQLVEPIBAOOGF-RMMWZPCPSA-N |
|---|---|
| Canonical SMILES | CNC(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc2c1O[C@H](CF)[C@H]2c1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.25 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q15059 | BRD3 | Homo sapiens | Human | PF17035 PF00439 | 8.5 | Kd | ChEMBL |
| P25440 | BRD2 | Homo sapiens | Human | PF17035 PF00439 | 8.3 | Kd | ChEMBL |
| Q58F21 | BRDT | Homo sapiens | Human | PF17035 PF17105 PF00439 | 8.3 | Kd | ChEMBL |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.8 | IC50 | ChEMBL;BindingDB |
| P13500 | CCL2 | Homo sapiens | Human | PF00048 | 7.3 | IC50 | ChEMBL |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL |
| P21675 | TAF1 | Homo sapiens | Human | PF00439 PF12157 PF09247 PF15288 | 6.4 | Kd | ChEMBL |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |