| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | D02BA01 |
| UNII: | TL2TJE8QTX |
Structure
| InChI Key | ALYNCZNDIQEVRV-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7NO2 |
| Molecular Weight | 137.14 |
| AlogP | 0.97 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 63.32 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 10.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 35 | - | - | 0 | |
|
Enzyme
Oxidoreductase
|
- | 3800 | - | - | - | |
|
Enzyme
Transferase
|
- | - | 5620 | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 85 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 30753 |
| ChEMBL | CHEMBL542 |
| DrugBank | DB02362 |
| DrugCentral | 2049 |
| EPA CompTox | DTXSID6024466 |
| FDA SRS | TL2TJE8QTX |
| Human Metabolome Database | HMDB0001392 |
| KEGG | C00568 |
| PDB | PAB |
| SureChEMBL | SCHEMBL8249 |
| ZINC | ZINC000000000920 |
CONTENTS