Molecule Details
| InChIKey | ZXYWTCVDQLRSRJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methyl-5-((1-methylpiperidin-4-yl)ethynyl)benzamide |
| Canonical SMILES | CCN(c1cc(C#CC2CCN(C)CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.52 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 8.0 | IC50 | ChEMBL;BindingDB |
| Q15910 | EZH2 | Homo sapiens | Human | PF21358 PF11616 PF18118 PF18264 PF00856 | 7.7 | IC50 | ChEMBL;BindingDB |
| P68431 | H3C1 | Homo sapiens | Human | PF00125 | 7.5 | IC50 | BindingDB |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 7.5 | IC50 | BindingDB |
| P10632 | CYP2C8 | Homo sapiens | Human | PF00067 | 7.3 | IC50 | BindingDB |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 7.1 | IC50 | BindingDB |