| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2004) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent Prodrug |
| ATC: | J01XD02 |
| UNII: | 033KF7V46H |
| InChI Key | HJLSLZFTEKNLFI-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H13N3O4S |
| Molecular Weight | 247.28 |
| AlogP | 0.53 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 95.1 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 16.0 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | DNA inhibitor | DailyMed |
| 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
|
- | - | - | - | 87 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | 14 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Trichomonas Infections | 4 | D014245 | ClinicalTrials |
| Candidiasis | 3 | D002177 | ClinicalTrials |
| Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
| Helicobacter Infections | 3 | D016481 | ClinicalTrials |
| Malaria, Vivax | 2 | D016780 | ClinicalTrials |
| Urethritis | 2 | D014526 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 19387-91-8 |
| ChEBI | 63627 |
| ChEMBL | CHEMBL1220 |
| DrugBank | DB00911 |
| DrugCentral | 2671 |
| EPA CompTox | DTXSID4023676 |
| FDA SRS | 033KF7V46H |
| Human Metabolome Database | HMDB0015047 |
| PharmGKB | PA10813 |
| PubChem | 5479 |
| SureChEMBL | SCHEMBL21141 |
| ZINC | ZINC000000113446 |