Molecule Details
| InChIKey | BMSHQZWQPJMOJN-UHFFFAOYSA-N |
|---|---|
| Compound Name | US9447092, Comparator 2, Example 57 |
| Canonical SMILES | Cc1nn(C)c(C)c1-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.27 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 7.5 | IC50 | ChEMBL;BindingDB |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 7.5 | IC50 | ChEMBL;BindingDB |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 7.5 | IC50 | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |