Molecule Details
| InChIKey | KLWKJFRXLGLTIH-VIFPVBQESA-N |
|---|---|
| Compound Name | 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide |
| Canonical SMILES | C[C@H](Nc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl)c1cc(F)ccc1F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.95 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q99250 | SCN2A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 7.9 | IC50 | ChEMBL |
| Q07699 | SCN1B | Homo sapiens | Human | PF07686 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q15858 | SCN9A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 6.6 | IC50 | ChEMBL;BindingDB |
| Q9UQD0 | SCN8A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 6.4 | IC50 | ChEMBL;BindingDB |