KEGG   DRUG: Toludesvenlafaxine
Entry
D11940                      Drug                                   
Name
Toludesvenlafaxine (USAN/INN)
Formula
C24H31NO3
Exact mass
381.2304
Mol weight
381.51
Structure
Remark
Chemical structure group: DG03141
Efficacy
Antidepressant, Serotonin-noradrenaline reuptake inhibitor (SNRI)
Comment
Treatment of depression
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
  Pathway
hsa04721  Synaptic vesicle cycle
hsa04726  Serotonergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D11940  Toludesvenlafaxine (USAN/INN)
    SLC6A4 (HTT)
     D11940  Toludesvenlafaxine (USAN/INN)
Other DBs
CAS: 916918-80-4
PubChem: 497620353
LinkDB
KCF data

ATOM        28
            1   C8x C    15.6465  -17.1758
            2   C8y C    15.6465  -18.6361
            3   C8x C    16.8286  -19.3314
            4   C8x C    18.0107  -18.6361
            5   C8y C    18.0107  -17.1758
            6   C8x C    16.8286  -16.4805
            7   C1x C    20.4445  -18.6361
            8   C1z C    20.4445  -17.1758
            9   C1c C    19.1928  -16.4805
            10  C1x C    21.6266  -19.3314
            11  C1x C    22.8087  -18.6361
            12  C1x C    22.8087  -17.1758
            13  C1x C    21.6266  -16.4805
            14  O7a O    14.4644  -19.3314
            15  O1a O    20.4445  -15.7851
            16  C1b C    19.1928  -15.0898
            17  N1c N    17.9412  -14.4639
            18  C1a C    16.7591  -15.1593
            19  C1a C    17.9412  -13.0037
            20  C7a C    13.2611  -18.6494
            21  O6a O    12.0447  -19.3650
            22  C8y C    13.2502  -17.2201
            23  C8x C    14.4422  -16.5197
            24  C8x C    14.4315  -15.1197
            25  C8y C    13.2137  -14.4290
            26  C8x C    12.0217  -15.1295
            27  C8x C    12.0325  -16.5295
            28  C1a C    13.2028  -13.0203
BOND        30
            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
            21   14  20 1
            22   20  21 2
            23   20  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30   25  28 1

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