| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1996) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | 8W8T17847W |
Structure
| InChI Key | XSQUKJJJFZCRTK-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | CH4N2O |
| Molecular Weight | 60.06 |
| AlogP | -0.98 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 69.11 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 4.0 |
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
|
- | - | - | - | 106 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Diabetes Mellitus, Type 2 | 3 | D003924 | ClinicalTrials |
| Dermatitis, Atopic | 3 | D003876 | ClinicalTrials |
| Diabetes Mellitus | 3 | D003920 | ClinicalTrials |
| Radiodermatitis | 3 | D011855 | ClinicalTrials |
| Skin Diseases | 2 | D012871 | ClinicalTrials |
| Head and Neck Neoplasms | 2 | D006258 | ClinicalTrials |
| Carcinoma, Hepatocellular | 2 | D006528 | ClinicalTrials |
| Pain | 2 | D010146 | ClinicalTrials |
| Argininosuccinic Aciduria | 1 | D056807 | ClinicalTrials |
| Ornithine Carbamoyltransferase Deficiency Disease | 1 | D020163 | ClinicalTrials |
| Citrullinemia | 1 | D020159 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 57-13-6 |
| ChEBI | 16199 |
| ChEMBL | CHEMBL985 |
| DrugBank | DB03904 |
| DrugCentral | 4264 |
| EPA CompTox | DTXSID4021426 |
| FDA SRS | 8W8T17847W |
| Human Metabolome Database | HMDB0000294 |
| Guide to Pharmacology | 4539 |
| KEGG | C00086 |
| PDB | URE |
| PharmGKB | PA451831 |
| PubChem | 1176 |
| SureChEMBL | SCHEMBL4441 |
| ZINC | ZINC000008214514 |
CONTENTS