| 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 |