KEGG   DRUG: Desvenlafaxine
Entry
D07793                      Drug                                   
Name
Desvenlafaxine (INN);
Khedezla (TN)
Product
Formula
C16H25NO2
Exact mass
263.1885
Mol weight
263.37
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);
Desvenlafaxine succinate monohydrate;
Pristiq (TN)
Product
  Generic
DESVENLAFAXINE (A-S Medication Solutions), DESVENLAFAXINE (A-S Medication Solutions), DESVENLAFAXINE (A-S Medication Solutions), DESVENLAFAXINE (A-S Medication Solutions), DESVENLAFAXINE (A-S Medication Solutions), DESVENLAFAXINE (Actavis Pharma), DESVENLAFAXINE (Advagen Pharma), DESVENLAFAXINE (Alembic Pharmaceuticals Limited), DESVENLAFAXINE (American Health Packaging), DESVENLAFAXINE (Breckenridge Pharmaceutical), DESVENLAFAXINE (Bryant Ranch Prepack), DESVENLAFAXINE (Bryant Ranch Prepack), DESVENLAFAXINE (Bryant Ranch Prepack), DESVENLAFAXINE (Bryant Ranch Prepack), DESVENLAFAXINE (Bryant Ranch Prepack), DESVENLAFAXINE (Bryant Ranch Prepack), DESVENLAFAXINE (Bryant Ranch Prepack), DESVENLAFAXINE (Bryant Ranch Prepack), DESVENLAFAXINE (Bryant Ranch Prepack), DESVENLAFAXINE (DIRECT RX), DESVENLAFAXINE (Hikma Pharmaceuticals USA), DESVENLAFAXINE (NuCare Pharmaceuticals), DESVENLAFAXINE (Preferred Pharmaceutical), DESVENLAFAXINE (Preferred Pharmaceuticals), DESVENLAFAXINE (Proficient Rx LP), DESVENLAFAXINE (REMEDYREPACK), DESVENLAFAXINE (RPK Pharmaceuticals), DESVENLAFAXINE (Slate Run Pharmaceuticals), DESVENLAFAXINE ER (Direct_Rx), DESVENLAFAXINE ER (Direct_rx), DESVENLAFAXINE SUCCINATE (A-S Medication Solutions), DESVENLAFAXINE SUCCINATE (Bryant Ranch Prepack), DESVENLAFAXINE SUCCINATE (Bryant Ranch Prepack), DESVENLAFAXINE SUCCINATE (Bryant Ranch Prepack), DESVENLAFAXINE SUCCINATE (Greenstone LLC), DESVENLAFAXINE SUCCINATE (Lupin Pharmaceuticals), DESVENLAFAXINE SUCCINATE (Preferred Pharmaceuticals)
Formula
C16H25NO2. C4H6O4. H2O
Exact mass
399.2257
Mol weight
399.48
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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