Synonyms: | |
Status: | Approved (2003) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | N06DX01 |
UNII: | W8O17SJF3T |
InChI Key | BUGYDGFZZOZRHP-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C12H21N |
Molecular Weight | 179.31 |
AlogP | 2.69 |
Hydrogen Bond Acceptor | 1.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 0.0 |
Polar Surface Area | 26.02 |
Molecular species | BASE |
Aromatic Rings | 0.0 |
Heavy Atoms | 13.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | - | - | - | 9 | |
Enzyme
Protease
Aspartic protease
Aspartic protease AA clan
Aspartic protease A1A subfamily
|
- | - | - | - | 18 | |
Ion channel
Ligand-gated ion channel
Ionotropic glutamate receptor
NMDA receptor
|
- | 1090-55400 | - | 540-1200 | 41 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 27200 | - | - | 59 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Dementia | 4 | D003704 | ClinicalTrials |
Child Development Disorders, Pervasive | 3 | D002659 | ClinicalTrials |
Bipolar Disorder | 3 | D001714 | ClinicalTrials |
Schizophrenia | 3 | D012559 | ClinicalTrials |
Alzheimer Disease | 3 | D000544 | ClinicalTrials |
Pain | 3 | D010146 | ClinicalTrials |
Multiple Sclerosis | 3 | D009103 | ClinicalTrials |
Fibromyalgia | 3 | D005356 | ClinicalTrials |
Anxiety | 3 | D001007 | ClinicalTrials |
Glaucoma, Open-Angle | 3 | D005902 | ClinicalTrials |
Parkinson Disease | 3 | D010300 | ClinicalTrials |
Tension-Type Headache | 3 | D018781 | ClinicalTrials |
Substance-Related Disorders | 3 | D019966 | ClinicalTrials |
Migraine Disorders | 3 | D008881 | ClinicalTrials |
Substance-Related Disorders | 3 | D019966 | ClinicalTrials |
Ischemic Stroke | 3 | D000083242 | ClinicalTrials |
Depressive Disorder | 3 | D003866 | ClinicalTrials |
Obsessive-Compulsive Disorder | 2 | D009771 | ClinicalTrials |
Alcoholism | 2 | D000437 | ClinicalTrials |
Alcohol Drinking | 2 | D000428 | ClinicalTrials |
Opioid-Related Disorders | 2 | D009293 | ClinicalTrials |
Neuralgia | 2 | D009437 | ClinicalTrials |
Huntington Disease | 2 | D006816 | ClinicalTrials |
Glioblastoma | 2 | D005909 | ClinicalTrials |
Alcoholism | 2 | D000437 | ClinicalTrials |
Psychotic Disorders | 2 | D011618 | ClinicalTrials |
Heroin Dependence | 2 | D006556 | ClinicalTrials |
Psychotic Disorders | 2 | D011618 | ClinicalTrials |
Amyotrophic Lateral Sclerosis | 2 | D000690 | ClinicalTrials |
Lupus Erythematosus, Systemic | 2 | D008180 | ClinicalTrials |
Cognitive Dysfunction | 2 | D060825 | ClinicalTrials |
Autistic Disorder | 2 | D001321 | ClinicalTrials |
Trichotillomania | 2 | D014256 | ClinicalTrials |
Cognitive Dysfunction | 2 | D060825 | ClinicalTrials |
Cocaine-Related Disorders | 2 | D019970 | ClinicalTrials |
Obesity | 1 | D009765 | ClinicalTrials |
Tobacco Use Disorder | 1 | D014029 | ClinicalTrials |
Central Nervous System Diseases | 1 | D002493 | ClinicalTrials |
Depressive Disorder, Major | 1 | D003865 | ClinicalTrials |
Glioma | 0 | D005910 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 19982-08-2 |
ChEBI | 64312 |
ChEMBL | CHEMBL807 |
DrugBank | DB01043 |
DrugCentral | 1679 |
EPA CompTox | DTXSID5045174 |
FDA SRS | W8O17SJF3T |
Human Metabolome Database | HMDB0015177 |
Guide to Pharmacology | 4253 |
KEGG | C13736 |
PharmGKB | PA10364 |
PubChem | 4054 |
SureChEMBL | SCHEMBL2688 |