| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2007) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N06BA13 |
| UNII: | V63XWA605I |
Structure
| InChI Key | YFGHCGITMMYXAQ-LJQANCHMSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| 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 |
Pharmacology
| 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
Dopamine receptor
|
- | 2 | - | 39000 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
- | 6600 | - | 3050-3260 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Sleep Wake Disorders | 4 | D012893 | ClinicalTrials |
| Narcolepsy | 4 | D009290 | ClinicalTrials |
| Sleep Apnea, Obstructive | 4 | D020181 | ClinicalTrials |
| Obesity | 3 | D009765 | ClinicalTrials |
| Depressive Disorder | 3 | D003866 | ClinicalTrials |
| Brain Injuries | 3 | D001930 | ClinicalTrials |
| Fatigue | 3 | D005221 | ClinicalTrials |
| Disorders of Excessive Somnolence | 3 | D006970 | ClinicalTrials |
| Glioma | 2 | D005910 | ClinicalTrials |
| Sleep Initiation and Maintenance Disorders | 2 | D007319 | ClinicalTrials |
| Schizophrenia | 2 | D012559 | ClinicalTrials |
| Neoplasms | 2 | D009369 | ClinicalTrials |
| Multiple Sclerosis | 2 | D009103 | ClinicalTrials |
| Stroke | 2 | D020521 | ClinicalTrials |
| Esophageal Neoplasms | 2 | D004938 | ClinicalTrials |
| Head and Neck Neoplasms | 1 | D006258 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 1 | D002289 | ClinicalTrials |
Related Entries
MCS
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 112111-43-0 |
| ChEBI | 77590 |
| ChEMBL | CHEMBL1201192 |
| DrugBank | DB06413 |
| DrugCentral | 4501 |
| FDA SRS | V63XWA605I |
| KEGG | D03215 |
| PubChem | 9690109 |
| SureChEMBL | SCHEMBL34489 |
| ZINC | ZINC000003831139 |
CONTENTS