Molecule Details
| InChIKey | FXNSVEQMUYPYJS-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(2-Aminoethyl)benzenesulfonamide |
| Canonical SMILES | NCCc1ccc(S(N)(=O)=O)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.95 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08782 |
|---|---|
| Drug Name | 4-(2-AMINOETHYL)BENZENESULFONAMIDE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Amides Benzene Derivatives Sulfonamides Sulfones Sulfur Compounds
Cross-references: BindingDB: 10861 CHEMBL7087 ChemSpider: 148392 PDB: ZYX PubChem:169682 PubChem:99445253 ZINC: ZINC000000056629
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 8.5 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.5 | Ki | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.9 | Ki | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 6.8 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.8 | pIC50 | TTD_MultiTarget |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 6.7 | Ki | ChEMBL;BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.5 | Ki | ChEMBL;BindingDB |
| P23280 | CA6 | Homo sapiens | Human | PF00194 | 6.1 | Ki | ChEMBL;BindingDB |
| P53615 | NCE103 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF00484 | 6.8 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O43570 | CA12 | Carbonic anhydrase 12 | inhibitor | targets |
| P00915 | CA1 | Carbonic anhydrase 1 | inhibitor | targets |
| P00918 | CA2 | Carbonic anhydrase 2 | inhibitor | targets |
| P22748 | CA4 | Carbonic anhydrase 4 | inhibitor | targets |
| Q16790 | CA9 | Carbonic anhydrase 9 | inhibitor | targets |
| Q9ULX7 | CA14 | Carbonic anhydrase 14 | inhibitor | targets |