Molecule Details
| InChIKey | UQMYMWRETIHSGQ-QHCPKHFHSA-N |
|---|---|
| Compound Name | US9550796, Example 135 |
| Canonical SMILES | COc1ncccc1-c1cc2c(n1C)[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.29 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q15059 | BRD3 | Homo sapiens | Human | PF17035 PF00439 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q92793 | CREBBP | Homo sapiens | Human | PF00439 PF09030 PF08214 PF02172 PF23570 PF06001 PF02135 PF00569 | 6.3 | IC50 | ChEMBL;BindingDB |