Molecule Details
| InChIKey | PWDGTQXZLNDOKS-UHFFFAOYSA-N |
|---|---|
| Compound Name | Benzolamide |
| Canonical SMILES | NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 18 |
| Pfam Stratification | Unknown |
| Avg pChEMBL | 7.51 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07050 |
|---|---|
| Drug Name | Benzolamide |
| CAS Number | nan |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Amides Carbonic Anhydrase Inhibitors Diuretics Enzyme Inhibitors Sulfonamides Sulfones Sulfur Compounds Thiadiazoles Thiazoles
Cross-references: BindingDB: 10886 CHEMBL73962 ChemSpider: 17747 PDB: D8W PubChem:18794 PubChem:99443521 ZINC: ZINC000004194731
Target Activities (18)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 9.3 | Ki | ChEMBL;BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 8.5 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.3 | pIC50 | TTD_MultiTarget |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 8.1 | Ki | ChEMBL;BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 7.9 | Ki | BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 7.8 | Ki | ChEMBL;BindingDB |
| Q9ULX7 | CA14 | Homo sapiens | Human | PF00194 | 7.5 | Ki | ChEMBL;BindingDB |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 7.5 | Ki | ChEMBL;BindingDB |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 7.4 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.3 | Ki | ChEMBL;BindingDB |
| P23280 | CA6 | Homo sapiens | Human | PF00194 | 7.0 | Ki | ChEMBL;BindingDB |
| Q31FD6 | Hydrogenovibrio crunogenus (strain DSM 25203 / XCL-2) | Pathogen | PF00194 | 8.6 | Ki | ChEMBL;BindingDB | |
| Q3I4V7 | CAN2 | Cryptococcus neoformans | Pathogen | PF00484 | 7.6 | Ki | ChEMBL;BindingDB |
| P53615 | NCE103 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF00484 | 7.0 | Ki | ChEMBL;BindingDB |
| O24855 | cynT | Helicobacter pylori (strain ATCC 700392 / 26695) | Pathogen | PF00484 | 6.5 | Ki | ChEMBL;BindingDB |
| A0A045J7I4 | yrdA | Mycobacterium tuberculosis | Pathogen | — | 6.5 | Ki | BindingDB |
| P9WPJ9 | mtcA2 | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF00484 | 6.3 | Ki | ChEMBL;BindingDB |
| P9WPJ7 | mtcA1 | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF00484 | 6.1 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (7)
| 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 |
| P23280 | CA6 | Carbonic anhydrase 6 | inhibitor | targets |
| Q16790 | CA9 | Carbonic anhydrase 9 | inhibitor | targets |
| Q9ULX7 | CA14 | Carbonic anhydrase 14 | inhibitor | targets |