| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 0J877412JV |
Structure
| InChI Key | UBVZQGOVTLIHLH-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H8N6 |
| Molecular Weight | 248.25 |
| AlogP | 1.8 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 91.14 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 19.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Xanthine dehydrogenase inhibitor | Other |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 3
Cytochrome P450 family 3A
Cytochrome P450 3A4
|
- | - | - | - | 19 | |
|
Enzyme
Oxidoreductase
|
- | 5-5300 | - | 6 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Diabetic Nephropathies | 2 | D003928 | ClinicalTrials |
| Hyperuricemia | 2 | D033461 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 577778-58-6 |
| ChEMBL | CHEMBL1078685 |
| DrugBank | DB01685 |
| DrugCentral | 4888 |
| EPA CompTox | DTXSID80206462 |
| FDA SRS | 0J877412JV |
| Guide to Pharmacology | 10592 |
| PDB | FYX |
| PubChem | 5288320 |
| SureChEMBL | SCHEMBL18056618 |
| ZINC | ZINC000013536586 |
CONTENTS