Trade Names: | |
Synonyms: | |
Status: | Approved (1998) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | N06BA07 |
UNII: | R3UK8X3U3D |
InChI Key | YFGHCGITMMYXAQ-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C15H15NO2S |
Molecular Weight | 273.36 |
AlogP | 2.01 |
Hydrogen Bond Acceptor | 2.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 5.0 |
Polar Surface Area | 60.16 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 19.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2C
Cytochrome P450 2C19
|
- | 11000-11000 | - | - | - | |
Enzyme
Hydrolase
|
- | - | - | - | ||
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | - | - | 39000 | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
- | 3700-4300 | - | 2520-8160 | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 114 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Attention Deficit Disorder with Hyperactivity | 4 | D001289 | ClinicalTrials |
Cocaine-Related Disorders | 3 | D019970 | ClinicalTrials |
Multiple Sclerosis | 3 | D009103 | ClinicalTrials |
Brain Neoplasms | 3 | D001932 | ClinicalTrials |
Sarcoma, Ewing | 3 | D012512 | ClinicalTrials |
Stroke | 3 | D020521 | ClinicalTrials |
Alzheimer Disease | 3 | D000544 | ClinicalTrials |
Sleep Apnea, Obstructive | 3 | D020181 | ClinicalTrials |
Postpoliomyelitis Syndrome | 3 | D016262 | ClinicalTrials |
Sleep Wake Disorders | 3 | D012893 | ClinicalTrials |
Fatigue | 3 | D005221 | ClinicalTrials |
Depressive Disorder, Major | 3 | D003865 | ClinicalTrials |
Narcolepsy | 3 | D009290 | ClinicalTrials |
Parkinson Disease | 2 | D010300 | ClinicalTrials |
Amphetamine-Related Disorders | 2 | D019969 | ClinicalTrials |
Substance-Related Disorders | 2 | D019966 | ClinicalTrials |
Opioid-Related Disorders | 2 | D009293 | ClinicalTrials |
Depressive Disorder | 2 | D003866 | ClinicalTrials |
Deglutition Disorders | 2 | D003680 | ClinicalTrials |
Schizophrenia | 2 | D012559 | ClinicalTrials |
Stress Disorders, Post-Traumatic | 2 | D013313 | ClinicalTrials |
Substance-Related Disorders | 2 | D019966 | ClinicalTrials |
Ovarian Neoplasms | 2 | D010051 | ClinicalTrials |
Alcoholism | 2 | D000437 | ClinicalTrials |
Tobacco Use Disorder | 1 | D014029 | ClinicalTrials |
Melanoma | 1 | D008545 | ClinicalTrials |
Cognitive Dysfunction | 1 | D060825 | ClinicalTrials |
Hypotension, Orthostatic | 1 | D007024 | ClinicalTrials |
Sleep Initiation and Maintenance Disorders | 1 | D007319 | ClinicalTrials |
Psychotic Disorders | 1 | D011618 | ClinicalTrials |
Tinnitus | 1 | D014012 | ClinicalTrials |
Sleep Apnea Syndromes | 1 | D012891 | ClinicalTrials |
Melanoma | 1 | D008545 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 68693-11-8 |
ChEBI | 77585 |
ChEMBL | CHEMBL1373 |
DrugBank | DB00745 |
DrugCentral | 1826 |
EPA CompTox | DTXSID0023329 |
FDA SRS | R3UK8X3U3D |
Human Metabolome Database | HMDB0014883 |
Guide to Pharmacology | 7555 |
KEGG | D01832 |
PharmGKB | PA450530 |
PubChem | 4236 |
SureChEMBL | SCHEMBL34488 |
ZINC | ZINC03831139 |