| Synonyms: | |
| Status: | Approved (2004) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N06AX21 |
| UNII: | O5TNM5N07U |
Structure
| InChI Key | ZEUITGRIYCTCEM-KRWDZBQOSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H19NOS |
| Molecular Weight | 297.42 |
| AlogP | 4.63 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 21.26 |
| Molecular species | BASE |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 21.0 |
Pharmacology
| Primary Target | |
|---|---|
| NET | |
| SERT |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Depressive Disorder | 4 | D003866 | ClinicalTrials |
| Depressive Disorder | 4 | D003866 | ClinicalTrials |
| Osteoarthritis | 3 | D010003 | ClinicalTrials |
| Parkinson Disease | 3 | D010300 | ClinicalTrials |
| Anxiety Disorders | 3 | D001008 | ClinicalTrials |
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Osteoarthritis, Knee | 3 | D020370 | ClinicalTrials |
| Anxiety | 3 | D001007 | ClinicalTrials |
| Fibromyalgia | 3 | D005356 | ClinicalTrials |
| Biliary Dyskinesia | 3 | D001657 | ClinicalTrials |
| Diabetic Neuropathies | 3 | D003929 | ClinicalTrials |
| Urinary Incontinence | 3 | D014549 | ClinicalTrials |
| Dementia | 3 | D003704 | ClinicalTrials |
| Back Pain | 3 | D001416 | ClinicalTrials |
| Shoulder Pain | 3 | D020069 | ClinicalTrials |
| Low Back Pain | 3 | D017116 | ClinicalTrials |
| Diabetic Neuropathies | 3 | D003929 | ClinicalTrials |
| Depressive Disorder, Major | 3 | D003865 | ClinicalTrials |
| Diabetes Mellitus | 2 | D003920 | ClinicalTrials |
| Colorectal Neoplasms | 2 | D015179 | ClinicalTrials |
| Neuralgia | 2 | D009437 | ClinicalTrials |
| Diabetic Nephropathies | 2 | D003928 | ClinicalTrials |
| Alcoholism | 2 | D000437 | ClinicalTrials |
| Pain | 2 | D010146 | ClinicalTrials |
| Multiple Sclerosis | 2 | D009103 | ClinicalTrials |
| Attention Deficit Disorder with Hyperactivity | 2 | D001289 | ClinicalTrials |
| Fatigue Syndrome, Chronic | 2 | D015673 | ClinicalTrials |
| Myalgia | 2 | D063806 | ClinicalTrials |
| Peripheral Nervous System Diseases | 2 | D010523 | ClinicalTrials |
| Amphetamine-Related Disorders | 1 | D019969 | ClinicalTrials |
| Stroke | 0 | D020521 | ClinicalTrials |
| Stress Disorders, Post-Traumatic | 0 | D013313 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 116539-59-4 |
| ChEBI | 36795 |
| ChEMBL | CHEMBL1175 |
| DrugBank | DB00476 |
| DrugCentral | 972 |
| EPA CompTox | DTXSID6048385 |
| FDA SRS | O5TNM5N07U |
| Human Metabolome Database | HMDB0014619 |
| Guide to Pharmacology | 202 |
| PDB | 29E |
| PharmGKB | PA10066 |
| PubChem | 60835 |
| SureChEMBL | SCHEMBL8291 |
| ZINC | ZINC000001536779 |
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