Molecule Details
| InChIKey | CVHZOJJKTDOEJC-UHFFFAOYSA-N |
|---|---|
| Compound Name | Saccharin |
| Canonical SMILES | O=C1NS(=O)(=O)c2ccccc21 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.57 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12418 |
|---|---|
| Drug Name | Saccharin |
| CAS Number | 81-07-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Saccharin has been investigated for the treatment of Hypertension and Hyperglycemia. |
Categories: Benzothiazoles Compounds used in a research, industrial, or household setting Diet, Food, and Nutrition Flavoring Agents Food Food Additives Food Ingredients Heterocyclic Compounds, Fused-Ring Physiological Phenomena Sulfur Compounds Sweetening Agents Thiazoles
Cross-references: BindingDB: 29278 ChEBI: 32111 CHEMBL310671 ChemSpider: 4959 C12283 PDB: LSA PubChem:5143 PubChem:347828662 RxCUI: 9509 Wikipedia: Saccharin ZINC: ZINC000002560357
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 8.0 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.0 | pIC50 | TTD_MultiTarget |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.0 | Ki | ChEMBL;BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 6.2 | Ki | ChEMBL;BindingDB |
| Q9ULX7 | CA14 | Homo sapiens | Human | PF00194 | 6.1 | Ki | ChEMBL;BindingDB |
| P23280 | CA6 | Homo sapiens | Human | PF00194 | 6.0 | Ki | ChEMBL;BindingDB |
| Q5AJ71 | NCE103 | Candida albicans (strain SC5314 / ATCC MYA-2876) | Pathogen | PF00484 | 6.1 | Ki | ChEMBL;BindingDB |
| P9WPJ9 | mtcA2 | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF00484 | 6.1 | Ki | ChEMBL;BindingDB |