Molecule Details
| InChIKey | KPWWFNXRLAAREN-UHFFFAOYSA-N |
|---|---|
| Compound Name | Neo2734 |
| Canonical SMILES | Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.43 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (12)
| 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 | 8.1 | Kd | ChEMBL |
| Q92793 | CREBBP | Homo sapiens | Human | PF00439 PF09030 PF08214 PF02172 PF23570 PF06001 PF02135 PF00569 | 7.7 | Kd | ChEMBL |
| Q09472 | EP300 | Homo sapiens | Human | PF00439 PF09030 PF08214 PF02172 PF23570 PF06001 PF02135 PF00569 | 7.6 | Kd | ChEMBL |
| Q9BXF3 | CECR2 | Homo sapiens | Human | PF00439 | 7.4 | Kd | ChEMBL |
| Q9H8M2 | BRD9 | Homo sapiens | Human | PF00439 PF12024 | 7.2 | Kd | ChEMBL |
| P55201 | BRPF1 | Homo sapiens | Human | PF00439 PF10513 PF13831 PF00855 PF13832 | 7.0 | Kd | ChEMBL |
| P21675 | TAF1 | Homo sapiens | Human | PF00439 PF12157 PF09247 PF15288 | 7.0 | Kd | ChEMBL |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q9UIF9 | BAZ2A | Homo sapiens | Human | PF00439 PF02791 PF01429 PF00628 PF15612 PF15613 | 6.8 | Kd | ChEMBL |
| Q9UIF8 | BAZ2B | Homo sapiens | Human | PF00439 PF02791 PF01429 PF00628 PF15613 | 6.7 | Kd | ChEMBL |