| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | JHU490RVYR |
Structure
| InChI Key | XBDQKXXYIPTUBI-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H6O2 |
| Molecular Weight | 74.08 |
| AlogP | 0.48 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 5.0 |
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)
Lipid-like ligand receptor (family A GPCR)
Free fatty acid receptor
|
10715-12000 | - | - | - | - |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 30768 |
| ChEMBL | CHEMBL14021 |
| DrugBank | DB03766 |
| EPA CompTox | DTXSID8025961 |
| FDA SRS | JHU490RVYR |
| Human Metabolome Database | HMDB0000237 |
| Guide to Pharmacology | 1062 |
| KEGG | C00163 |
| PDB | PPI |
| PubChem | 1032 |
| SureChEMBL | SCHEMBL290 |
| ZINC | ZINC000006050663 |
CONTENTS