Molecule Details
| InChIKey | JIVPVXMEBJLZRO-UHFFFAOYSA-N |
|---|---|
| Compound Name | Chlorthalidone |
| Canonical SMILES | NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.25 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00310 |
|---|---|
| Drug Name | Chlorthalidone |
| CAS Number | 77-36-1 |
| Groups | approved investigational |
| ATC Codes | G01AE10 C03EA06 C03BB04 C03BA04 |
| Description | Chlorthalidone is a thiazide-like diuretic used for the treatment of hypertension and for management of edema caused by conditions such as heart failure or renal impairment. Chlorthalidone improves blood pressure and swelling by preventing water absorption from the kidneys through inhibition of the ... |
Categories: Amides Antihypertensive Agents Antihypertensive Agents Indicated for Hypertension Benzene Derivatives Benzenesulfonamides Benzophenones Cardiovascular Agents Diuretics Drugs causing inadvertant photosensitivity Heterocyclic Compounds, Fused-Ring Hyperglycemia-Associated Agents Hypotensive Agents Imides Increased Diuresis Isoindoles Ketones Low-Ceiling Diuretics and Potassium-Sparing Agents Low-Ceiling Diuretics, Excl. Thiazides Membrane Transport Modulators Natriuretic Agents Non Potassium Sparing Diuretics Photosensitizing Agents Phthalimides Sodium Chloride Symporter Inhibitors Sulfonamides Sulfones Sulfur Compounds Thiazide-like Diuretic
Cross-references: BindingDB: 25900 ChEBI: 3654 CHEMBL1055 ChemSpider: 2631 Drugs Product Database (DPD): 10135 D00272 PharmGKB: PA448970 PubChem:2732 PubChem:46505541 RxCUI: 2409 Therapeutic Targets Database: DAP000521 Wikipedia: Chlortalidone
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 8.6 | Ki | ChEMBL |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 8.3 | Ki | ChEMBL |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 8.1 | Ki | ChEMBL |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.6 | Ki | ChEMBL |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | pIC50 | TTD_MultiTarget |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.7 | Ki | ChEMBL |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.5 | IC50 | ChEMBL |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 6.5 | IC50 | ChEMBL |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 6.0 | Ki | ChEMBL |