KEGG   DRUG: Desvenlafaxine
Entry
D07793                      Drug                                   
Name
Desvenlafaxine (INN);
Khedezla (TN)
Product
Formula
C16H25NO2
Exact mass
263.1885
Mol weight
263.3752
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01658  Serotonin and norepinephrine reuptake inhibitor (SNRI)
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02924  UGT substrate
Remark
ATC code: N06AX23
Chemical structure group: DG00963
Product (DG00963): D07793<US> D02570<US> D11619<US>
Efficacy
Antidepressant, Serotonin-noradrenaline reuptake inhibitor (SNRI)
  Disease
Major depressive disorder [DS:H01646]
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
  Pathway
hsa04721  Synaptic vesicle cycle
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576], UGT [KO:K00699]
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
     N06AX23 Desvenlafaxine
      D07793  Desvenlafaxine (INN) <US>
USP drug classification [BR:br08302]
 Antidepressants
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Desvenlafaxine
    D07793  Desvenlafaxine (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01658  Serotonin and norepinephrine reuptake inhibitor (SNRI)
   DG00963  Desvenlafaxine
    D07793  Desvenlafaxine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00963  Desvenlafaxine
     D07793  Desvenlafaxine
  DG02924  UGT substrate
   DG00963  Desvenlafaxine
    D07793  Desvenlafaxine
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D07793  Desvenlafaxine (INN) <US>
    SLC6A4 (HTT)
     D07793  Desvenlafaxine (INN) <US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07793
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01658  Serotonin and norepinephrine reuptake inhibitor (SNRI)
   DG00963  Desvenlafaxine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00963  Desvenlafaxine
  DG02924  UGT substrate
   DG00963  Desvenlafaxine
Other DBs
CAS: 93413-62-8
PubChem: 96024490
ChEBI: 83527
LigandBox: D07793
LinkDB
KCF data

ATOM        19
            1   C8x C    24.5700  -22.3300
            2   C8y C    24.5700  -23.7300
            3   C8x C    25.7600  -24.4300
            4   C8x C    26.9500  -23.7300
            5   C8y C    26.9500  -22.3300
            6   C8x C    25.7600  -21.6300
            7   C1x C    29.4000  -23.7300
            8   C1z C    29.4000  -22.3300
            9   C1c C    28.1400  -21.6300
            10  C1x C    30.5900  -24.4300
            11  C1x C    31.7800  -23.7300
            12  C1x C    31.7800  -22.3300
            13  C1x C    30.5900  -21.6300
            14  O1a O    23.3800  -24.4300
            15  O1a O    29.3828  -20.9301
            16  C1b C    28.1228  -20.2301
            17  N1c N    26.9149  -19.5524
            18  C1a C    25.6958  -20.2768
            19  C1a C    26.8978  -18.1301
BOND        20
            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    8  15 1
            17    9  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 1

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KEGG   DRUG: Desvenlafaxine succinate
Entry
D02570                      Drug                                   
Name
Desvenlafaxine succinate (USAN);
Desvenlafaxine succinate hydrate (JAN);
Pristiq (TN)
Product
  Generic
Formula
C16H25NO2. C4H6O4. H2O
Exact mass
399.2257
Mol weight
399.4785
Structure
Class
Neuropsychiatric agent
 DG01658  Serotonin and norepinephrine reuptake inhibitor (SNRI)
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02924  UGT substrate
Remark
ATC code: N06AX23
Chemical structure group: DG00963
Product (DG00963): D07793<US> D02570<US> D11619<US>
Efficacy
Antidepressant, Serotonin-noradrenaline reuptake inhibitor (SNRI)
  Disease
Major depressive disorder [DS:H01646]
Comment
Treatment of major depressive disorder
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
  Pathway
hsa04721  Synaptic vesicle cycle
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576], UGT [KO:K00699]
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
     N06AX23 Desvenlafaxine
      D02570  Desvenlafaxine succinate (USAN) <US>
USP drug classification [BR:br08302]
 Antidepressants
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Desvenlafaxine
    D02570  Desvenlafaxine succinate (USAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01658  Serotonin and norepinephrine reuptake inhibitor (SNRI)
   DG00963  Desvenlafaxine
    D02570  Desvenlafaxine succinate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00963  Desvenlafaxine
     D02570  Desvenlafaxine succinate
  DG02924  UGT substrate
   DG00963  Desvenlafaxine
    D02570  Desvenlafaxine succinate
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D02570  Desvenlafaxine succinate (USAN) <US>
    SLC6A4 (HTT)
     D02570  Desvenlafaxine succinate (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D02570
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D02570
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02570
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01658  Serotonin and norepinephrine reuptake inhibitor (SNRI)
   DG00963  Desvenlafaxine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00963  Desvenlafaxine
  DG02924  UGT substrate
   DG00963  Desvenlafaxine
Other DBs
CAS: 386750-22-7
PubChem: 17396741
LigandBox: D02570
LinkDB
KCF data

ATOM        28
            1   O6a O    27.9300  -21.8400
            2   C6a C    29.1900  -21.1400
            3   C1b C    30.3800  -21.8400
            4   C1b C    31.5700  -21.1400
            5   C6a C    32.7600  -21.8400
            6   O6a O    34.0200  -21.1400
            7   O6a O    29.1900  -19.7400
            8   O6a O    32.7600  -23.1700
            9   O0  O    37.3800  -21.1400
            10  C8x C    18.9700  -22.3300
            11  C8y C    18.9700  -23.7300
            12  C8x C    20.1600  -24.4300
            13  C8x C    21.3500  -23.7300
            14  C8y C    21.3500  -22.3300
            15  C8x C    20.1600  -21.6300
            16  C1x C    23.8000  -23.7300
            17  C1z C    23.8000  -22.3300
            18  C1c C    22.5400  -21.6300
            19  C1x C    24.9900  -24.4300
            20  C1x C    26.1800  -23.7300
            21  C1x C    26.1800  -22.3300
            22  C1x C    24.9900  -21.6300
            23  O1a O    17.7800  -24.4300
            24  O1a O    23.8000  -20.9300
            25  C1b C    22.5228  -20.2301
            26  N1c N    21.3149  -19.5524
            27  C1a C    20.0958  -20.2768
            28  C1a C    21.2978  -18.1301
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     2   7 2
            7     5   8 2
            8    10  11 2
            9    11  12 1
            10   12  13 2
            11   13  14 1
            12   14  15 2
            13   10  15 1
            14   16  17 1
            15   17  18 1
            16   14  18 1
            17   16  19 1
            18   19  20 1
            19   20  21 1
            20   21  22 1
            21   17  22 1
            22   11  23 1
            23   17  24 1
            24   18  25 1
            25   25  26 1
            26   26  27 1
            27   26  28 1

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