| Synonyms: | |
| Status: | Approved (1997) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N04BC05 |
| UNII: | 83619PEU5T |
| InChI Key | FASDKYOPVNHBLU-ZETCQYMHSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H17N3S |
| Molecular Weight | 211.33 |
| AlogP | 1.58 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 50.94 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 14.0 |
| Primary Target | |
|---|---|
| D2 receptor | |
| D3 receptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Adrenergic receptor
|
- | - | - | 100000 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
2-22 | 17-133 | 2 | 1-38 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Histamine receptor
|
- | - | - | 2683 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
- | - | - | 1188 | - | |
|
Membrane receptor
|
2-22 | 17-133 | 2 | 1-38 | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Parkinson Disease | 4 | D010300 | ClinicalTrials |
| Tourette Syndrome | 3 | D005879 | ClinicalTrials |
| Psychotic Disorders | 3 | D011618 | ClinicalTrials |
| Feeding and Eating Disorders | 3 | D001068 | ClinicalTrials |
| Restless Legs Syndrome | 3 | D012148 | ClinicalTrials |
| Essential Tremor | 3 | D020329 | ClinicalTrials |
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Depressive Disorder | 2 | D003866 | ClinicalTrials |
| Alzheimer Disease | 2 | D000544 | ClinicalTrials |
| Bipolar Disorder | 2 | D001714 | ClinicalTrials |
| Fibromyalgia | 2 | D005356 | ClinicalTrials |
| Obsessive-Compulsive Disorder | 1 | D009771 | ClinicalTrials |
| Amyotrophic Lateral Sclerosis | 1 | D000690 | ClinicalTrials |
| Renal Colic | 1 | D056844 | ClinicalTrials |
| Substance-Related Disorders | 1 | D019966 | ClinicalTrials |
| Cocaine-Related Disorders | 1 | D019970 | ClinicalTrials |
| Chronic Pain | 0 | D059350 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 104632-26-0 |
| ChEBI | 8356 |
| ChEMBL | CHEMBL301265 |
| DrugBank | DB00413 |
| DrugCentral | 2233 |
| EPA CompTox | DTXSID6023496 |
| FDA SRS | 83619PEU5T |
| Human Metabolome Database | HMDB0014557 |
| Guide to Pharmacology | 953 |
| PDB | G6L |
| PubChem | 119570 |
| SureChEMBL | SCHEMBL35376 |
| ZINC | ZINC000003781664 |