| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N03AA30 |
| UNII: | 02OS7K758T |
Structure
| InChI Key | FWJKNZONDWOGMI-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14N2O3 |
| Molecular Weight | 198.22 |
| AlogP | 0.5 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 66.48 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 14.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| POSITIVE ALLOSTERIC MODULATOR | GABA-A receptor; anion channel positive allosteric modulator |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 2.751 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -21.72--2.47 |
Indications
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 50-11-3 |
| ChEBI | 31827 |
| ChEMBL | CHEMBL450 |
| DrugBank | DB00463 |
| DrugCentral | 1740 |
| EPA CompTox | DTXSID6023280 |
| FDA SRS | 02OS7K758T |
| Human Metabolome Database | HMDB14606 |
| Guide to Pharmacology | 7230 |
| PDB | VOK |
| PharmGKB | PA164746525 |
| PubChem | 4099 |
| SureChEMBL | SCHEMBL78867 |
| ZINC | ZINC000005508997 |
CONTENTS