| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | A09AB02 |
| UNII: | JK8U8K4D6K |
Structure
| InChI Key | HOPSCVCBEOCPJZ-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H12ClNO2 |
| Molecular Weight | 153.61 |
| AlogP | -0.22 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 37.3 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 8.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 6.703 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -40.44-2.39 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 113.7 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1201130 |
| EPA CompTox | DTXSID0044446 |
| FDA SRS | JK8U8K4D6K |
| PubChem | 521862 |
| SureChEMBL | SCHEMBL59207 |
CONTENTS