Synonyms: | |
Status: | Approved (1988) Withdrawn (2007) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | N04BC02 |
UNII: | 24MJ822NZ9 |
InChI Key | YEHCICAEULNIGD-MZMPZRCHSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C19H26N2S |
Molecular Weight | 314.5 |
AlogP | 4.27 |
Hydrogen Bond Acceptor | 2.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 19.03 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 22.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Ion channel
Ligand-gated ion channel
5HT3 receptor
|
- | 140-385 | - | - | - | |
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 120 | - | - | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Adrenergic receptor
|
- | 41-170 | - | - | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
4 | 2-48 | 4-45 | 4-50 | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
- | 140-385 | - | 2-4 | - | |
Unclassified protein
|
- | 7900 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Cocaine-Related Disorders | 3 | D019970 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 66104-22-1 |
ChEBI | 63617 |
ChEMBL | CHEMBL531 |
DrugBank | DB01186 |
DrugCentral | 2105 |
EPA CompTox | DTXSID2023438 |
FDA SRS | 24MJ822NZ9 |
Human Metabolome Database | HMDB0015317 |
Guide to Pharmacology | 48 |
KEGG | C07425 |
PharmGKB | PA450873 |
PubChem | 47811 |
SureChEMBL | SCHEMBL26921 |
ZINC | ZINC000003786466 |