Molecule Details
| InChIKey | MRLVIVXGUGNENL-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[4-(Aminosulfonyl)phenyl]-2-mercaptobenzamide |
| Canonical SMILES | NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.49 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07476 |
|---|---|
| Drug Name | N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 11053 CHEMBL386049 ChemSpider: 407220 PDB: BOS PubChem:462919 PubChem:99443947
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 8.2 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 8.0 | Ki | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.8 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | pIC50 | TTD_MultiTarget |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 7.1 | Ki | ChEMBL;BindingDB |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 6.9 | Ki | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.6 | Ki | ChEMBL;BindingDB |