| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2017) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | P01AB07 |
| UNII: | R3459K699K |
Structure
| InChI Key | KPQZUUQMTUIKBP-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H11N3O3 |
| Molecular Weight | 185.18 |
| AlogP | 0.48 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 81.19 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 13.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | DNA inhibitor | FDA |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
|
- | 28500 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 133 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Trichomonas Infections | 4 | D014245 | ClinicalTrials |
| Vaginal Discharge | 3 | D019522 | ClinicalTrials |
Related Entries
MCS
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3366-95-8 |
| ChEBI | 94433 |
| ChEMBL | CHEMBL498847 |
| DrugBank | DB12834 |
| DrugCentral | 2427 |
| EPA CompTox | DTXSID3045934 |
| FDA SRS | R3459K699K |
| PubChem | 71815 |
| SureChEMBL | SCHEMBL363924 |
CONTENTS