Molecule Details
| InChIKey | CVUSIJVOABHLEJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 7-[[2-Fluoro-3-(trifluoromethyl)phenyl]methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine |
| Canonical SMILES | Fc1c(Cn2ccc3c(OC4CCN(Cc5ccccn5)CC4)ncnc32)cccc1C(F)(F)F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.81 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q15858 | SCN9A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q14524 | SCN5A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.5 | Ki | ChEMBL;BindingDB |