Molecule Details
| InChIKey | WGWRQZCFJUOFIR-VZUCSPMQSA-N |
|---|---|
| Compound Name | 2-Methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-enyl)phenyl-4-sulfamoylbenzoate |
| Canonical SMILES | COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)c1ccc(S(N)(=O)=O)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.8 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 8.0 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.0 | pIC50 | TTD_MultiTarget |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 8.0 | Ki | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 7.8 | Ki | ChEMBL;BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 7.7 | Ki | ChEMBL;BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 7.3 | Ki | ChEMBL;BindingDB |