| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | G01AD02 |
| UNII: | Q40Q9N063P |
Structure
| InChI Key | QTBSBXVTEAMEQO-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C2H4O2 |
| Molecular Weight | 60.05 |
| AlogP | 0.09 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 37.3 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 4.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase Src family
|
- | - | 640-1300 | - | - | |
|
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
|
12000 | - | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Chemical and Drug Induced Liver Injury | 3 | D056486 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 64-19-7 |
| ChEBI | 15366 |
| ChEMBL | CHEMBL539 |
| DrugBank | DB03166 |
| DrugCentral | 4211 |
| EPA CompTox | DTXSID5024394 |
| FDA SRS | Q40Q9N063P |
| Human Metabolome Database | HMDB0000042 |
| Guide to Pharmacology | 1058 |
| KEGG | C00033 |
| PDB | ACY |
| PharmGKB | PA448021 |
| PubChem | 176 |
| SureChEMBL | SCHEMBL469 |
| ZINC | ZINC000005224164 |
CONTENTS