| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | M01AC02 |
| UNII: | Z1R9N0A399 |
| InChI Key | LZNWYQJJBLGYLT-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H11N3O4S2 |
| Molecular Weight | 337.38 |
| AlogP | 1.64 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 99.6 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 22.0 |
| 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
|
- | - | - | - | 78 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pain | 2 | D010146 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 59804-37-4 |
| ChEBI | 32192 |
| ChEMBL | CHEMBL302795 |
| DrugBank | DB00469 |
| DrugCentral | 2595 |
| EPA CompTox | DTXSID8045486 |
| FDA SRS | Z1R9N0A399 |
| PubChem | 54677971 |
| SureChEMBL | SCHEMBL25343 |
| ZINC | ZINC000100006429 |