| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1960) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | Q0MQD1073Q |
Structure
| InChI Key | JIVPVXMEBJLZRO-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H11ClN2O4S |
| Molecular Weight | 338.77 |
| AlogP | 0.92 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 109.49 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 22.0 |
Pharmacology
| Primary Target | |
|---|---|
| carbonic anhydrase 7 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Lyase
|
- | - | - | 11000 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 62 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Hypertension | 4 | D006973 | ClinicalTrials |
| Heart Failure | 4 | D006333 | ClinicalTrials |
| Renal Insufficiency, Chronic | 4 | D051436 | ClinicalTrials |
| Diabetes Mellitus | 3 | D003920 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 3 | D003924 | ClinicalTrials |
| Coronary Disease | 3 | D003327 | ClinicalTrials |
| Atherosclerosis | 3 | D050197 | ClinicalTrials |
| Myocardial Infarction | 3 | D009203 | ClinicalTrials |
| Cerebrovascular Disorders | 3 | D002561 | ClinicalTrials |
| Heart Diseases | 3 | D006331 | ClinicalTrials |
| Essential Hypertension | 3 | D000075222 | ClinicalTrials |
| Myocardial Ischemia | 3 | D017202 | ClinicalTrials |
| Hypercholesterolemia | 3 | D006937 | ClinicalTrials |
| Death, Sudden, Cardiac | 3 | D016757 | ClinicalTrials |
| Diabetes Mellitus, Type 1 | 2 | D003922 | ClinicalTrials |
Related Entries
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 77-36-1 |
| ChEBI | 3654 |
| ChEMBL | CHEMBL1055 |
| DrugBank | DB00310 |
| DrugCentral | 625 |
| EPA CompTox | DTXSID4022812 |
| FDA SRS | Q0MQD1073Q |
| Human Metabolome Database | HMDB0014455 |
| Guide to Pharmacology | 7147 |
| PharmGKB | PA448970 |
| PubChem | 2732 |
| SureChEMBL | SCHEMBL26234 |
CONTENTS