Molecule Details
| InChIKey | NKXJSCXEAVZSMF-UHFFFAOYSA-N |
|---|---|
| Compound Name | 6-Methoxy-4-(2-{4-[([1,3]oxathiolo[5,4-C]pyridin-6-Ylmethyl)amino]piperidin-1-Yl}ethyl)quinoline-3-Carbonitrile |
| Canonical SMILES | COc1ccc2ncc(C#N)c(CCN3CCC(NCc4cc5c(cn4)OCS5)CC3)c2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.33 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.3 | IC50 | ChEMBL;BindingDB |
| P0A0K8 | gyrB | Staphylococcus aureus | Pathogen | PF00204 PF00986 PF02518 PF01751 | 7.8 | IC50 | ChEMBL |
| P20831 | gyrA | Staphylococcus aureus | Pathogen | PF03989 PF00521 | 7.8 | IC50 | ChEMBL;BindingDB |