| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C10AD06 |
| UNII: | K9AY9IR2SD |
Structure
| InChI Key | DJQOOSBJCLSSEY-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6N2O3 |
| Molecular Weight | 154.12 |
| AlogP | -0.28 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 77.13 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 11.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Carboxylic acid receptor
Hydroxycarboxylic acid receptor
|
5300 | - | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Diabetes Mellitus, Type 1 | 3 | D003922 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 2 | D003924 | ClinicalTrials |
| Metabolic Syndrome | 2 | D024821 | ClinicalTrials |
| Heart Failure | 2 | D006333 | ClinicalTrials |
| Bulimia Nervosa | 2 | D052018 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 94688 |
| ChEMBL | CHEMBL345714 |
| DrugBank | DB09055 |
| DrugCentral | 76 |
| EPA CompTox | DTXSID2046202 |
| FDA SRS | K9AY9IR2SD |
| Guide to Pharmacology | 1596 |
| SureChEMBL | SCHEMBL48922 |
| ZINC | ZINC000001481960 |
CONTENTS