| Synonyms: | |
| Status: | Approved (1992) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N06AB05 |
| UNII: | 41VRH5220H |
Structure
| InChI Key | AHOUBRCZNHFOSL-YOEHRIQHSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H20FNO3 |
| Molecular Weight | 329.37 |
| AlogP | 3.33 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 39.72 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 24.0 |
Experimental and Estimated Properties
| Property Name | Value | Unit | Method |
|---|---|---|---|
| log P (octanol-water) | 3.950 | - | EST |
| Atmospheric OH Rate Constant | 1.64E-10 | cm3/molecule-sec | EST |
Pharmacology
| Primary Target | |
|---|---|
| SERT |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Depressive Disorder, Major | 4 | D003865 | ClinicalTrials |
| Depressive Disorder | 4 | D003866 | ClinicalTrials |
| Depressive Disorder, Major | 4 | D003865 | ClinicalTrials |
| Obsessive-Compulsive Disorder | 3 | D009771 | ClinicalTrials |
| Agoraphobia | 3 | D000379 | ClinicalTrials |
| Phobia, Social | 3 | D000072861 | ClinicalTrials |
| Dementia | 3 | D003704 | ClinicalTrials |
| Anxiety | 3 | D001007 | ClinicalTrials |
| Stress Disorders, Post-Traumatic | 3 | D013313 | ClinicalTrials |
| Panic Disorder | 3 | D016584 | ClinicalTrials |
| Hepatitis C, Chronic | 3 | D019698 | ClinicalTrials |
| Parkinson Disease | 3 | D010300 | ClinicalTrials |
| Alcoholism | 3 | D000437 | ClinicalTrials |
| Premature Ejaculation | 3 | D061686 | ClinicalTrials |
| Bipolar Disorder | 3 | D001714 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 3 | D003924 | ClinicalTrials |
| Arthritis, Rheumatoid | 3 | D001172 | ClinicalTrials |
| Neuralgia | 3 | D009437 | ClinicalTrials |
| Anxiety Disorders | 3 | D001008 | ClinicalTrials |
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Tinnitus | 2 | D014012 | ClinicalTrials |
| Myocardial Infarction | 2 | D009203 | ClinicalTrials |
| Anovulation | 1 | D000858 | ClinicalTrials |
| Fibromyalgia | 1 | D005356 | ClinicalTrials |
| Idiopathic Pulmonary Fibrosis | 1 | D054990 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 61869-08-7 |
| ChEBI | 7936 |
| ChEMBL | CHEMBL490 |
| DrugBank | DB00715 |
| DrugCentral | 2068 |
| EPA CompTox | DTXSID3023425 |
| FDA SRS | 41VRH5220H |
| Human Metabolome Database | HMDB14853 |
| Guide to Pharmacology | 4790 |
| KEGG | C07415 |
| PDB | 8PR |
| PharmGKB | PA450801 |
| PubChem | 43815 |
| SureChEMBL | SCHEMBL27799 |
| ZINC | ZINC000000527386 |
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