| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1983) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | C03CA02 |
| UNII: | 0Y2S3XUQ5H |
| InChI Key | MAEIEVLCKWDQJH-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C17H20N2O5S |
| Molecular Weight | 364.42 |
| AlogP | 3.04 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 118.72 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 25.0 |
| Primary Target | |
|---|---|
| Kidney-specific Na-K-Cl symporter |
| 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
|
- | - | - | - | 72 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Heart Failure | 4 | D006333 | FDA |
| Heart Failure | 4 | D006333 | ClinicalTrials |
| Autistic Disorder | 3 | D001321 | ClinicalTrials |
| Child Development Disorders, Pervasive | 2 | D002659 | ClinicalTrials |
| Hypokalemic Periodic Paralysis | 2 | D020514 | ClinicalTrials |
| Renal Insufficiency, Chronic | 2 | D051436 | ClinicalTrials |
| Carcinoma, Hepatocellular | 1 | D006528 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 1 | D003924 | ClinicalTrials |
| Seizures | 1 | D012640 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 28395-03-1 |
| ChEBI | 3213 |
| ChEMBL | CHEMBL1072 |
| DrugBank | DB00887 |
| DrugCentral | 427 |
| EPA CompTox | DTXSID5022699 |
| FDA SRS | 0Y2S3XUQ5H |
| Human Metabolome Database | HMDB0015024 |
| Guide to Pharmacology | 4837 |
| KEGG | D00247 |
| PharmGKB | PA448682 |
| PubChem | 2471 |
| SureChEMBL | SCHEMBL27525 |
| ZINC | ZINC000003813061 |