| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1995) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | A10BB12 |
| UNII: | 6KY687524K |
Structure
| InChI Key | WIGIZIANZCJQQY-RUCARUNLSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C24H34N4O5S |
| Molecular Weight | 490.63 |
| AlogP | 3.07 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 124.68 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 34.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 6860 | - | - | - | |
|
Enzyme
|
- | 6860 | - | - | - | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 15700-34000 | - | - | - | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCC subfamily
|
- | 6390 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Diabetes Mellitus | 4 | D003920 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 4 | D003924 | ClinicalTrials |
| Hypertension | 3 | D006973 | ClinicalTrials |
| Atherosclerosis | 3 | D050197 | ClinicalTrials |
| Hypercholesterolemia | 3 | D006937 | ClinicalTrials |
| Coronary Disease | 3 | D003327 | ClinicalTrials |
Related Entries
Side Effects from Label
Side Effects (PT)
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 93479-97-1 |
| ChEBI | 5383 |
| ChEMBL | CHEMBL1481 |
| DrugBank | DB00222 |
| DrugCentral | 1300 |
| EPA CompTox | DTXSID5040675 |
| FDA SRS | 6KY687524K |
| Guide to Pharmacology | 6820 |
| SureChEMBL | SCHEMBL16086 |
| ZINC | ZINC000100070954 |
CONTENTS