Molecule Details
| InChIKey | VLEMFHFORYINCB-UHFFFAOYSA-N |
|---|---|
| Compound Name | US9550796, Example 47 |
| Canonical SMILES | Cc1cc(N2C(=O)c3cc(-c4cccn(C)c4=O)n(C)c3C2c2ccc(Cl)cc2)cn(C)c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.76 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q15059 | BRD3 | Homo sapiens | Human | PF17035 PF00439 | 7.1 | IC50 | ChEMBL;BindingDB |
| P25440 | BRD2 | Homo sapiens | Human | PF17035 PF00439 | 7.0 | IC50 | ChEMBL;BindingDB |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q92793 | CREBBP | Homo sapiens | Human | PF00439 PF09030 PF08214 PF02172 PF23570 PF06001 PF02135 PF00569 | 6.2 | IC50 | ChEMBL;BindingDB |