| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | D5M179TY2E |
Structure
| InChI Key | ZJQHPWUVQPJPQT-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H6N2O2 |
| Molecular Weight | 114.1 |
| AlogP | -0.16 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 72.28 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 8.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 25.84-27.42 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -20.29--5.04 | |
|
Ion channel
Ligand-gated ion channel
GABA-A receptor
|
691.83-2300 | 3-10 | 1400 | 6-11 | 0.004 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
- | 320000 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Epilepsy | 1 | D004827 | ClinicalTrials |
| Parkinson Disease | 1 | D010300 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2763-96-4 |
| ChEBI | 7035 |
| ChEMBL | CHEMBL273481 |
| DrugBank | DB12458 |
| EPA CompTox | DTXSID5041069 |
| FDA SRS | D5M179TY2E |
| Guide to Pharmacology | 4259 |
| KEGG | C08311 |
| PubChem | 4266 |
| SureChEMBL | SCHEMBL149693 |
| ZINC | ZINC000022064260 |
CONTENTS