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CHEBI:76016 - vortioxetine
| Formula | C18H22N2S |
| Net Charge | 0 |
| Average Mass | 298.455 |
| Monoisotopic Mass | 298.15037 |
| SMILES | Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 |
| InChI | InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3 |
| InChIKey | YQNWZWMKLDQSAC-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. serotonergic agonist An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders. |
| Applications: | serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. serotonergic agonist An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders. anxiolytic drug Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| vortioxetine (CHEBI:76016) has role antidepressant (CHEBI:35469) |
| vortioxetine (CHEBI:76016) has role anxiolytic drug (CHEBI:35474) |
| vortioxetine (CHEBI:76016) has role serotonergic agonist (CHEBI:35941) |
| vortioxetine (CHEBI:76016) has role serotonergic antagonist (CHEBI:48279) |
| vortioxetine (CHEBI:76016) is a N-arylpiperazine (CHEBI:46848) |
| vortioxetine (CHEBI:76016) is a aryl sulfide (CHEBI:35683) |
| vortioxetine (CHEBI:76016) is conjugate base of vortioxetine(1+) (CHEBI:76017) |
| Incoming Relation(s) |
| vortioxetine(1+) (CHEBI:76017) is conjugate acid of vortioxetine (CHEBI:76016) |
| IUPAC Name |
|---|
| 1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine |
| INNs | Source |
|---|---|
| vortioxetina | WHO MedNet |
| vortioxétine | WHO MedNet |
| vortioxetine | WHO MedNet |
| vortioxetinum | WHO MedNet |
| Synonym | Source |
|---|---|
| Lu AA21004 | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| D10184 | KEGG DRUG |
| WO2008113359 | Patent |
| Vortioxetine | Wikipedia |
| 4806 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:11341374 | Reaxys |
| CAS:508233-74-7 | KEGG DRUG |
| CAS:508233-74-7 | ChemIDplus |
| Citations |
|---|