Molecule Details
| InChIKey | DHSOPLGHCCWMQK-HXUWFJFHSA-N |
|---|---|
| Compound Name | 5-cyclopropyl-2-fluoro-4-[(3R)-1-[(4-methoxy-2-methylphenyl)methyl]piperidin-3-yl]oxy-N-methylsulfonylbenzamide |
| Canonical SMILES | COc1ccc(CN2CCC[C@@H](Oc3cc(F)c(C(=O)NS(C)(=O)=O)cc3C3CC3)C2)c(C)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.16 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35498 | SCN1A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 8.3 | IC50 | BindingDB |
| Q14524 | SCN5A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 8.3 | IC50 | BindingDB |
| Q15858 | SCN9A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 7.9 | IC50 | ChEMBL;BindingDB |