Molecule Details
| InChIKey | LMYRWZFENFIFIT-UHFFFAOYSA-N |
|---|---|
| Compound Name | P-Toluenesulfonamide |
| Canonical SMILES | Cc1ccc(S(N)(=O)=O)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.77 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17299 |
|---|---|
| Drug Name | p-Toluenesulfonamide |
| CAS Number | 70-55-3 |
| Groups | investigational |
| ATC Codes | L01XX83 |
| Description | nan |
Categories: Amides Antineoplastic Agents Antineoplastic and Immunomodulating Agents Benzene Derivatives Sulfonamides Sulfones Sulfur Compounds
Cross-references: BindingDB: 10859 ChEBI: 34435 CHEMBL574 ChemSpider: 6033 C14412 PDB: 4J8 ZINC: ZINC000000388056
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 8.7 | Ki | ChEMBL;BindingDB |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 7.1 | Ki | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 6.5 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.5 | pIC50 | TTD_MultiTarget |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 6.3 | Ki | ChEMBL;BindingDB |
| Q31FD6 | Hydrogenovibrio crunogenus (strain DSM 25203 / XCL-2) | Pathogen | PF00194 | 6.6 | Ki | ChEMBL;BindingDB | |
| O24855 | cynT | Helicobacter pylori (strain ATCC 700392 / 26695) | Pathogen | PF00484 | 6.3 | Ki | ChEMBL;BindingDB |
| Q6FTL6 | NCE103 | Candida glabrata (strain ATCC 2001 / BCRC 20586 / JCM 3761 / NBRC 0622 / NRRL Y-65 / CBS 138) | Pathogen | PF00484 | 6.1 | Ki | ChEMBL |