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 |