Molecule Details
| InChIKey | UNFSVUGGDWHOPR-QHCPKHFHSA-N |
|---|---|
| Compound Name | [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] 2-(methanesulfonamido)-6-methoxybenzoate |
| Canonical SMILES | COc1cccc(NS(C)(=O)=O)c1C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.17 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P27815 | PDE4A | Homo sapiens | Human | PF18100 PF00233 | 8.2 | IC50 | ChEMBL |
| Q07343 | PDE4B | Homo sapiens | Human | PF18100 PF00233 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q08493 | PDE4C | Homo sapiens | Human | PF18100 PF00233 | 8.2 | IC50 | ChEMBL |
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 8.2 | IC50 | ChEMBL |