| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1964) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | J04AB01 |
| UNII: | 95IK5KI84Z |
| InChI Key | DYDCUQKUCUHJBH-UWTATZPHSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C3H6N2O2 |
| Molecular Weight | 102.09 |
| AlogP | -1.62 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 64.35 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 7.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Isomerase
|
- | - | - | - | 10 | |
|
Ion channel
Ligand-gated ion channel
Ionotropic glutamate receptor
NMDA receptor
|
18100 | 2300 | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Asperger Syndrome | 3 | D020817 | ClinicalTrials |
| Phobia, Social | 3 | D000072861 | ClinicalTrials |
| Stress Disorders, Post-Traumatic | 3 | D013313 | ClinicalTrials |
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Panic Disorder | 3 | D016584 | ClinicalTrials |
| Phobic Disorders | 3 | D010698 | ClinicalTrials |
| Obsessive-Compulsive Disorder | 3 | D009771 | ClinicalTrials |
| Autistic Disorder | 3 | D001321 | ClinicalTrials |
| Pain | 3 | D010146 | ClinicalTrials |
| Smoking Cessation | 3 | D016540 | ClinicalTrials |
| Bipolar Disorder | 2 | D001714 | ClinicalTrials |
| Cocaine-Related Disorders | 2 | D019970 | ClinicalTrials |
| Stroke | 2 | D020521 | ClinicalTrials |
| Tobacco Use Disorder | 2 | D014029 | ClinicalTrials |
| Alcohol Drinking | 2 | D000428 | ClinicalTrials |
| Substance-Related Disorders | 2 | D019966 | ClinicalTrials |
| Psychotic Disorders | 2 | D011618 | ClinicalTrials |
| Opioid-Related Disorders | 2 | D009293 | ClinicalTrials |
| Agoraphobia | 2 | D000379 | ClinicalTrials |
| Low Back Pain | 2 | D017116 | ClinicalTrials |
| Depressive Disorder, Major | 2 | D003865 | ClinicalTrials |
| Brain Injuries | 2 | D001930 | ClinicalTrials |
| Sleep Apnea Syndromes | 1 | D012891 | ClinicalTrials |
| Anxiety | 1 | D001007 | ClinicalTrials |
| Pulmonary Disease, Chronic Obstructive | 0 | D029424 | ClinicalTrials |
| Osteomyelitis | 0 | D010019 | ClinicalTrials |
| Tourette Syndrome | 0 | D005879 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68-41-7 |
| ChEBI | 40009 |
| ChEMBL | CHEMBL771 |
| DrugBank | DB00260 |
| DrugCentral | 759 |
| EPA CompTox | DTXSID8022870 |
| FDA SRS | 95IK5KI84Z |
| Human Metabolome Database | HMDB0014405 |
| Guide to Pharmacology | 9489 |
| KEGG | C08057 |
| PDB | 4AX |
| PubChem | 6234 |
| SureChEMBL | SCHEMBL34322 |
| ZINC | ZINC000034676245 |