| Synonyms: | |
| Status: | Approved (1945) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | D10AF06 |
| UNII: | 4965G3J0F5 |
| InChI Key | SKIVFJLNDNKQPD-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10N2O3S |
| Molecular Weight | 214.25 |
| AlogP | 0.09 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 89.26 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 14.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 18000 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC47 family of multidrug and toxin extrusion transporters
|
- | - | - | - | 80 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Osteomyelitis | 0 | D010019 | ClinicalTrials |
| Resources | Reference |
|---|---|
| ChEBI | 63845 |
| ChEMBL | CHEMBL455 |
| DrugBank | DB00634 |
| DrugCentral | 2497 |
| EPA CompTox | DTXSID8026060 |
| FDA SRS | 4965G3J0F5 |
| Human Metabolome Database | HMDB0014772 |
| PharmGKB | PA451536 |
| PubChem | 5320 |
| SureChEMBL | SCHEMBL40863 |
| ZINC | ZINC000005179119 |