| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | D06BA06 |
| UNII: | UR1SAB295F |
| InChI Key | QPPBRPIAZZHUNT-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H12N4O2S |
| Molecular Weight | 264.31 |
| AlogP | 1.17 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 97.97 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 18.0 |
| 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
|
- | - | - | - | 101 |
| Resources | Reference |
|---|---|
| ChEBI | 102130 |
| ChEMBL | CHEMBL438 |
| DrugBank | DB01581 |
| DrugCentral | 2510 |
| EPA CompTox | DTXSID0023612 |
| FDA SRS | UR1SAB295F |
| Human Metabolome Database | HMDB0015521 |
| PharmGKB | PA164776842 |
| PubChem | 5325 |
| SureChEMBL | SCHEMBL33999 |
| ZINC | ZINC000000057501 |