Molecule Details
| InChIKey | UXBCHTZINZNVRG-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-N-(4-Sulfamoylphenyl-ethyl)-2,4,6-trimethylpyridinium |
| Canonical SMILES | Cc1cc(C)[n+](CCc2ccc(S(N)(=O)=O)cc2)c(C)c1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.58 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04763 |
|---|---|
| Drug Name | 1-N-(4-SULFAMOYLPHENYL-ETHYL)-2,4,6-TRIMETHYLPYRIDINIUM |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 11641 CHEMBL1184499 ChemSpider: 4451176 PDB: PIU PubChem:5289159 PubChem:46504996 ZINC: ZINC000012504500
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 8.2 | Ki | ChEMBL;BindingDB |
| Q9ULX7 | CA14 | Homo sapiens | Human | PF00194 | 7.9 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.8 | Ki | ChEMBL;BindingDB |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 7.8 | Ki | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.7 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.7 | pIC50 | TTD_MultiTarget |
| Q8N1Q1 | CA13 | Homo sapiens | Human | PF00194 | 7.7 | Ki | ChEMBL;BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 7.2 | Ki | ChEMBL;BindingDB |
| P23280 | CA6 | Homo sapiens | Human | PF00194 | 7.2 | Ki | ChEMBL;BindingDB |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 7.2 | Ki | ChEMBL;BindingDB |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 7.1 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P00918 | CA2 | Carbonic anhydrase 2 | binder | targets |