| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N06BX03 |
| UNII: | ZH516LNZ10 |
Structure
| InChI Key | GMZVRMREEHBGGF-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H10N2O2 |
| Molecular Weight | 142.16 |
| AlogP | -0.91 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 63.4 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 10.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Isomerase
|
- | - | - | - | 29-129 | |
|
Membrane receptor
|
- | - | - | - | 29-129 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 103 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Movement Disorders | 3 | D009069 | ClinicalTrials |
| Anxiety | 3 | D001007 | ClinicalTrials |
| Postpoliomyelitis Syndrome | 3 | D016262 | ClinicalTrials |
| Dementia | 3 | D003704 | ClinicalTrials |
| Depressive Disorder | 3 | D003866 | ClinicalTrials |
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Cocaine-Related Disorders | 1 | D019970 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 7491-74-9 |
| ChEBI | 32010 |
| ChEMBL | CHEMBL36715 |
| DrugBank | DB09210 |
| DrugCentral | 2197 |
| EPA CompTox | DTXSID5044491 |
| FDA SRS | ZH516LNZ10 |
| Guide to Pharmacology | 4288 |
| PDB | PZI |
| PubChem | 4843 |
| SureChEMBL | SCHEMBL20172 |
| ZINC | ZINC000003812874 |
CONTENTS