Synonyms: | |
Status: | Approved (1986) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | C02AC02 |
UNII: | 30OMY4G3MK |
InChI Key | INJOMKTZOLKMBF-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
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 |
Primary Target | |
---|---|
α2A-adrenoceptor | |
α2B-adrenoceptor | |
α2C-adrenoceptor |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Other cytosolic protein
|
- | - | - | 19 | - |
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 |
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 |