| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1958) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C03AA04 |
| UNII: | 77W477J15H |
Structure
| InChI Key | JBMKAUGHUNFTOL-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6ClN3O4S2 |
| Molecular Weight | 295.73 |
| AlogP | -0.06 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 118.69 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 17.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Thiazide-sensitive sodium-chloride cotransporter inhibitor | DOI |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 70 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Coronary Disease | 3 | D003327 | ClinicalTrials |
| Heart Diseases | 3 | D006331 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 3 | D003924 | ClinicalTrials |
| Atherosclerosis | 3 | D050197 | ClinicalTrials |
| Hypercholesterolemia | 3 | D006937 | ClinicalTrials |
Related Entries
Adverse Reactions
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 58-94-6 |
| ChEBI | 3640 |
| ChEMBL | CHEMBL842 |
| DrugBank | DB00880 |
| DrugCentral | 609 |
| EPA CompTox | DTXSID0022800 |
| FDA SRS | 77W477J15H |
| Human Metabolome Database | HMDB0015018 |
| Guide to Pharmacology | 4835 |
| KEGG | C07461 |
| PharmGKB | PA448953 |
| PubChem | 2720 |
| SureChEMBL | SCHEMBL22329 |
| ZINC | ZINC000003872055 |
CONTENTS