KEGG   DRUG: VenlafaxineHelp
Entry
D08670                      Drug                                   

Name
Venlafaxine (INN);
Efectin (TN)
Formula
C17H27NO2
Exact mass
277.2042
Mol weight
277.4018
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01658  Serotonin and norepinephrine reuptake inhibitor
Cyp substrate
 DG01644  CYP2D6 substrate
Cyp inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Same as: C07187
ATC code: N06AX16
Chemical structure group: DG00959
Product (DG00959): D00821<JP/US>
Efficacy
Antidepressant, Serotonin-noradrenaline reuptake inhibitor (SNRI)
Comment
serotonin norepinephrine reuptake inhibitor (SNRI)
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
  Pathway
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]; CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
map07027  Antidepressants
map07234  Neurotransmitter transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AX Other antidepressants
     N06AX16 Venlafaxine
      D08670  Venlafaxine (INN)
USP drug classification [BR:br08302]
 Antidepressants
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Venlafaxine
    D08670  Venlafaxine (INN)
 Anxiolytics
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Venlafaxine
    D08670  Venlafaxine (INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D08670  Venlafaxine (INN)
    SLC6A4 (HTT)
     D08670  Venlafaxine (INN)
BRITE hierarchy
Other DBs
CAS: 93413-69-5
PubChem: 96025353
ChEBI: 9943
ChEMBL: CHEMBL637
DrugBank: DB00285
LigandBox: D08670
KCF data Show

ATOM        20
            1   C8x C    25.1300  -22.1900
            2   C8y C    25.1300  -23.5900
            3   C8x C    26.3900  -24.2900
            4   C8x C    27.5800  -23.5900
            5   C8y C    27.5800  -22.1900
            6   C8x C    26.3900  -21.4900
            7   C1x C    30.0300  -23.5900
            8   C1z C    30.0300  -22.1900
            9   C1c C    28.7700  -21.4900
            10  C1x C    31.2200  -24.2900
            11  C1x C    32.4100  -23.5900
            12  C1x C    32.4100  -22.1900
            13  C1x C    31.2200  -21.4900
            14  O2a O    23.9400  -24.2900
            15  C1a C    22.7500  -23.5900
            16  C1b C    28.7700  -20.0900
            17  O1a O    30.0300  -20.7900
            18  N1c N    27.5800  -19.3900
            19  C1a C    26.3900  -20.0900
            20  C1a C    27.5800  -17.9900
BOND        21
            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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  13 1
            15    2  14 1
            16   14  15 1
            17    9  16 1
            18    8  17 1
            19   16  18 1
            20   18  19 1
            21   18  20 1

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