KEGG   DRUG: Vortioxetine hydrobromide
Entry
D10185                      Drug                                   
Name
Vortioxetine hydrobromide (JAN/USAN);
Brintellix (TN);
Trintellix (TN)
Product
Formula
C18H22N2S. HBr
Exact mass
378.0765
Mol weight
379.3576
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01483  5-HT1A-receptor agonist
Gastrointestinal agent
 DG01489  5-HT3-receptor antagonist
Metabolizing enzyme substrate
 DG01638  CYP2A6 substrate
 DG02919  CYP2B6 substrate
 DG02918  CYP2C8 substrate
 DG01642  CYP2C9 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02925  CYP3A5 substrate
Remark
Therapeutic category: 1179
ATC code: N06AX26
Chemical structure group: DG00965
Product (DG00965): D10185<JP/US>
Efficacy
Antidepressant, Antianxiety, Serotonin reuptake inhibitor, Serotonin receptor antagonist/agonist
  Disease
Major depressive disorder [DS:H01646]
Comment
Fluoxetine derivatives, thioether type
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
HTR3 [HSA:3359 9177 170572 200909 285242] [KO:K04819]
HTR1A [HSA:3350] [KO:K04153]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]; CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP2C19 [HSA:1557], CYP2C9 [HSA:1559], CYP2A6 [HSA:1548], CYP2C8 [HSA:1558], CYP2B6 [HSA:1555]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AX Other antidepressants
     N06AX26 Vortioxetine
      D10185  Vortioxetine hydrobromide (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Antidepressants
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Vortioxetine
    D10185  Vortioxetine hydrobromide (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1179  Others
     D10185  Vortioxetine hydrobromide (JAN/USAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01483  5-HT1A-receptor agonist
   DG00965  Vortioxetine
    D10185  Vortioxetine hydrobromide
 Gastrointestinal agent
  DG01489  5-HT3-receptor antagonist
   DG00965  Vortioxetine
    D10185  Vortioxetine hydrobromide
 Metabolizing enzyme substrate
  DG01638  CYP2A6 substrate
   DG00965  Vortioxetine
    D10185  Vortioxetine hydrobromide
  DG02919  CYP2B6 substrate
   DG00965  Vortioxetine
    D10185  Vortioxetine hydrobromide
  DG02918  CYP2C8 substrate
   DG00965  Vortioxetine
    D10185  Vortioxetine hydrobromide
  DG01642  CYP2C9 substrate
   DG00965  Vortioxetine
    D10185  Vortioxetine hydrobromide
  DG01639  CYP2C19 substrate
   DG00965  Vortioxetine
    D10185  Vortioxetine hydrobromide
  DG01644  CYP2D6 substrate
   DG00965  Vortioxetine
    D10185  Vortioxetine hydrobromide
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00965  Vortioxetine
     D10185  Vortioxetine hydrobromide
  DG02925  CYP3A5 substrate
   DG00965  Vortioxetine
    D10185  Vortioxetine hydrobromide
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR1A
     D10185  Vortioxetine hydrobromide (JAN/USAN) <JP/US>
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D10185  Vortioxetine hydrobromide (JAN/USAN) <JP/US>
 Transporters
  Solute carrier family
   SLC6
    SLC6A4 (HTT)
     D10185  Vortioxetine hydrobromide (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10185
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10185
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10185
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10185
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10185
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D10185
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01483  5-HT1A-receptor agonist
   DG00965  Vortioxetine
 Gastrointestinal agent
  DG01489  5-HT3-receptor antagonist
   DG00965  Vortioxetine
 Metabolizing enzyme substrate
  DG01638  CYP2A6 substrate
   DG00965  Vortioxetine
  DG02919  CYP2B6 substrate
   DG00965  Vortioxetine
  DG02918  CYP2C8 substrate
   DG00965  Vortioxetine
  DG01642  CYP2C9 substrate
   DG00965  Vortioxetine
  DG01639  CYP2C19 substrate
   DG00965  Vortioxetine
  DG01644  CYP2D6 substrate
   DG00965  Vortioxetine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00965  Vortioxetine
  DG02925  CYP3A5 substrate
   DG00965  Vortioxetine
Other DBs
CAS: 960203-27-4
PubChem: 135626903
ChEBI: 76015
LigandBox: D10185
LinkDB
KCF data

ATOM        22
            1   C8x C    21.8400  -20.0200
            2   C8x C    21.8400  -21.4200
            3   C8y C    23.0300  -22.1200
            4   C8y C    24.2900  -21.4200
            5   C8x C    24.2900  -20.0200
            6   C8x C    23.0300  -19.3200
            7   S2a S    23.0300  -23.5200
            8   C8y C    21.8400  -24.2200
            9   C8x C    20.5800  -23.5200
            10  C8x C    19.3900  -24.2200
            11  C8y C    19.3900  -25.6200
            12  C8x C    20.5800  -26.3200
            13  C8y C    21.8400  -25.6200
            14  C1a C    18.2000  -26.3200
            15  C1a C    23.0300  -26.3200
            16  N1y N    25.4800  -22.1200
            17  C1x C    25.4800  -23.5200
            18  C1x C    26.6700  -24.2200
            19  N1x N    27.9300  -23.5200
            20  C1x C    27.9300  -22.1200
            21  C1x C    26.6700  -21.4200
            22  X   Br   28.7000  -26.8100
BOND        23
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     3   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   11  14 1
            16   13  15 1
            17    4  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   16  21 1

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