Molecule Details
| InChIKey | WQEGQSRMXSLEON-OAQYLSRUSA-N |
|---|---|
| Compound Name | US9550796, Example 56 |
| Canonical SMILES | COc1ncc(-c2cc3c(n2C)[C@@H](c2ccc(Cl)cc2)N(c2cc(C)c(=O)n(C)c2)C3=O)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.41 |
| 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 | 7.7 | IC50 | ChEMBL;BindingDB |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.5 | IC50 | ChEMBL;BindingDB |
| P25440 | BRD2 | Homo sapiens | Human | PF17035 PF00439 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q92793 | CREBBP | Homo sapiens | Human | PF00439 PF09030 PF08214 PF02172 PF23570 PF06001 PF02135 PF00569 | 6.9 | IC50 | ChEMBL;BindingDB |