| Synonyms: | |
| Status: | Approved (1986) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C02AC02 |
| UNII: | 30OMY4G3MK |
Structure
| InChI Key | INJOMKTZOLKMBF-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9Cl2N3O |
| Molecular Weight | 246.1 |
| AlogP | 1.55 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 78.97 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 15.0 |
Pharmacology
| Primary Target | |
|---|---|
| α2A-adrenoceptor | |
| α2B-adrenoceptor | |
| α2C-adrenoceptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Other cytosolic protein
|
- | - | - | 19 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Tourette Syndrome | 3 | D005879 | ClinicalTrials |
| Alzheimer Disease | 3 | D000544 | ClinicalTrials |
| Delirium | 3 | D003693 | ClinicalTrials |
| Stroke | 2 | D020521 | ClinicalTrials |
| Smoking Cessation | 2 | D016540 | ClinicalTrials |
| Tobacco Use Disorder | 2 | D014029 | ClinicalTrials |
| Alcohol Drinking | 2 | D000428 | ClinicalTrials |
| Cocaine-Related Disorders | 2 | D019970 | ClinicalTrials |
| Schizotypal Personality Disorder | 2 | D012569 | ClinicalTrials |
| Attention Deficit Disorder with Hyperactivity | 2 | D001289 | ClinicalTrials |
| Alcoholism | 2 | D000437 | ClinicalTrials |
| Substance-Related Disorders | 2 | D019966 | ClinicalTrials |
| Trigeminal Neuralgia | 2 | D014277 | ClinicalTrials |
| Stress Disorders, Post-Traumatic | 1 | D013313 | ClinicalTrials |
| Marijuana Abuse | 1 | D002189 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 29110-47-2 |
| ChEBI | 5558 |
| ChEMBL | CHEMBL862 |
| DrugBank | DB01018 |
| DrugCentral | 1343 |
| EPA CompTox | DTXSID9046944 |
| FDA SRS | 30OMY4G3MK |
| Human Metabolome Database | HMDB0015153 |
| Guide to Pharmacology | 522 |
| KEGG | C07037 |
| PharmGKB | PA449825 |
| PubChem | 3519 |
| SureChEMBL | SCHEMBL35094 |
| ZINC | ZINC000003872738 |
CONTENTS