| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | A10BB09 |
| UNII: | G4PX8C4HKV |
| InChI Key | BOVGTQGAOIONJV-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H21N3O3S |
| Molecular Weight | 323.42 |
| AlogP | 1.63 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 78.51 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 22.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
|
- | 19620 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 106 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Diabetes Mellitus, Type 2 | 3 | D003924 | ClinicalTrials |
| Epilepsy | 1 | D004827 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 21187-98-4 |
| ChEBI | 31654 |
| ChEMBL | CHEMBL427216 |
| DrugCentral | 1299 |
| EPA CompTox | DTXSID9023095 |
| FDA SRS | G4PX8C4HKV |
| Human Metabolome Database | HMDB0015252 |
| PharmGKB | PA10892 |
| PubChem | 667431 |
| SureChEMBL | SCHEMBL16387 |