KEGG DRUG: Venlafaxine

DRUG: Venlafaxine

Entry

D08670                      Drug

Name

Venlafaxine (INN);
Efectin (TN)

Formula

C17H27NO2

Exact mass

277.2042

Mol weight

277.40

Structure

Simcomp

Class

Neuropsychiatric agent
DG01658  Serotonin and norepinephrine reuptake inhibitor (SNRI)
Metabolizing enzyme substrate
DG01644  CYP2D6 substrate
DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate

Remark

Same as:

C07187

ATC code:

N06AX16

Chemical structure group:

DG00959

Product (DG00959):

D00821<JP/US> D12403<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

hsa04721

Synaptic vesicle cycle

hsa04726

Serotonergic synapse

Metabolism

Enzyme: CYP2D6 [HSA:1565]; CYP3A4 [HSA:1576]

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)
Drug groups [BR:br08330]
Neuropsychiatric agent
  DG01658  Serotonin and norepinephrine reuptake inhibitor (SNRI)
   DG00959  Venlafaxine
    D08670  Venlafaxine
Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00959  Venlafaxine
    D08670  Venlafaxine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00959  Venlafaxine
     D08670  Venlafaxine
Target-based classification of drugs [BR:br08310]
Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D08670  Venlafaxine (INN)
    SLC6A4 (HTT)
     D08670  Venlafaxine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
  D08670
Drug groups [BR:br08330]
Neuropsychiatric agent
  DG01658  Serotonin and norepinephrine reuptake inhibitor (SNRI)
   DG00959  Venlafaxine
Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00959  Venlafaxine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00959  Venlafaxine

Other DBs

CAS:	93413-69-5

PubChem:

96025353

ChEBI:

9943

LigandBox:

D08670

LinkDB

KCF data

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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