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 |