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 |