| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1945) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent Prodrug |
| UNII: | X8XI70B5Z6 |
Structure
| InChI Key | IAIWVQXQOWNYOU-FPYGCLRLSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6N4O4 |
| Molecular Weight | 198.14 |
| AlogP | 0.19 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 123.76 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 14.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 90000 | - | - | 27 | |
|
Enzyme
Oxidoreductase
|
- | - | - | - | 91 | |
|
Enzyme
|
- | 88100 | - | - | 27 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 94 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Amyotrophic Lateral Sclerosis | 2 | D000690 | ClinicalTrials |
| Osteomyelitis | 0 | D010019 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59-87-0 |
| ChEMBL | CHEMBL869 |
| DrugBank | DB00336 |
| DrugCentral | 1950 |
| EPA CompTox | DTXSID5020944 |
| FDA SRS | X8XI70B5Z6 |
| Human Metabolome Database | HMDB0014480 |
| KEGG | C08042 |
| PDB | NFZ |
| PharmGKB | PA164754877 |
| PubChem | 5447130 |
| SureChEMBL | SCHEMBL25416 |
| ZINC | ZINC000000897369 |
CONTENTS