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 |