| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1966) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | A10BB05 |
| UNII: | 9LT1BRO48Q |
| InChI Key | OUDSBRTVNLOZBN-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H21N3O3S |
| Molecular Weight | 311.41 |
| AlogP | 1.77 |
| 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 | 21.0 |
| 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
|
- | - | - | - | 110 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1156-19-0 |
| ChEBI | 9613 |
| ChEMBL | CHEMBL817 |
| DrugBank | DB00839 |
| DrugCentral | 2694 |
| EPA CompTox | DTXSID3021358 |
| FDA SRS | 9LT1BRO48Q |
| Human Metabolome Database | HMDB0014977 |
| Guide to Pharmacology | 6847 |
| PharmGKB | PA164774902 |
| PubChem | 5503 |
| SureChEMBL | SCHEMBL34417 |
| ZINC | ZINC000000057512 |