| Synonyms: | |
| Status: | Approved (1967) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | J01XX05 |
| UNII: | J50OIX95QV |
Structure
| InChI Key | VKYKSIONXSXAKP-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12N4 |
| Molecular Weight | 140.19 |
| AlogP | -1.02 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 12.96 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 10.0 |
Pharmacology
| 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
|
- | - | - | - | 73 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Dysuria | 3 | D053159 | ClinicalTrials |
| Osteomyelitis | 0 | D010019 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 6824 |
| ChEMBL | CHEMBL1201270 |
| DrugBank | DB06799 |
| DrugCentral | 3344 |
| EPA CompTox | DTXSID6020692 |
| FDA SRS | J50OIX95QV |
| Human Metabolome Database | HMDB0029598 |
| Guide to Pharmacology | 10913 |
| PubChem | 4101 |
| SureChEMBL | SCHEMBL33785 |
| ZINC | ZINC000086040406 |
CONTENTS