KEGG   DRUG: Vindesine sulfate
Entry
D01769                      Drug                                   

Name
Vindesine sulfate (JAN/USAN);
Fildesin (TN)
Formula
C43H55N5O7. H2SO4
Exact mass
851.3775
Mol weight
852.0046
Structure
Simcomp
Class
Antineoplastic
 DG01965  Antineoplastic, vinca alkaloid
Metabolizing enzyme substrate
 DG01633  CYP3A substrate
Remark
Therapeutic category: 4240
ATC code: L01CA03
Chemical structure group: DG00691
Product (DG00691): D01769<JP>
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
Comment
Semisynthetic vinblastine derivative
Target
  Pathway
hsa04540  Gap junction
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Structure map
map07042  Antineoplastics - agents from natural products
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01C PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
    L01CA Vinca alkaloids and analogues
     L01CA03 Vindesine
      D01769  Vindesine sulfate (JAN/USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   424  Plant extract preparations
    4240  Plant extract preparations
     D01769  Vindesine sulfate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D01769  Vindesine sulfate (JAN/USAN) <JP>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01769
Other DBs
CAS: 59917-39-4
PubChem: 7848832
ChEBI: 32295
ChEMBL: CHEMBL2105882
DrugBank: DB00309
LigandBox: D01769
NIKKAJI: J277.863G J300.718I
LinkDB
KCF data

ATOM        60
            1   S4a S    35.2967  -18.7069
            2   O1d O    35.2898  -17.3138
            3   O1d O    35.2898  -20.1001
            4   O1d O    36.6898  -18.7069
            5   O1d O    33.9036  -18.7000
            6   C1z C    32.4769  -23.9191
            7   C1y C    33.6075  -23.2524
            8   C1y C    32.4827  -25.2239
            9   C8y C    30.2271  -23.9191
            10  C1x C    31.6420  -22.8407
            11  C1z C    34.7500  -23.9134
            12  N1y N    33.5959  -21.9303
            13  C1z C    33.6191  -25.8733
            14  N1y N    31.3462  -25.8733
            15  C8y C    30.2271  -25.2239
            16  C8x C    29.0905  -23.2697
            17  C1x C    32.3030  -21.9250
            18  C1y C    34.6916  -25.2297
            19  C2x C    35.8807  -23.2408
            20  C1b C    35.8459  -24.5455
            21  C1x C    34.7441  -21.2693
            22  C5a C    34.5122  -27.0521
            23  O1a O    33.1263  -27.7753
            24  C1a C    31.3326  -27.2491
            25  C8x C    29.0905  -25.8792
            26  C8y C    27.9830  -23.9134
            27  O1a O    37.1932  -26.0776
            28  C2x C    35.8864  -21.9187
            29  C1a C    36.9591  -23.9077
            30  N1a N    34.5014  -28.3220
            31  C8y C    27.9830  -25.2239
            32  C1z C    25.5581  -21.7439
            33  O2a O    26.8697  -25.8617
            34  C8y C    24.4333  -20.9843
            35  C1x C    26.8221  -21.0076
            36  C7a C    25.1986  -23.0429
            37  C1a C    25.7565  -25.2122
            38  C8y C    24.4333  -19.6391
            39  N4x N    23.3083  -21.6570
            40  C1y C    26.8221  -19.7203
            41  O7a O    23.7607  -23.5010
            42  O6a O    26.0277  -24.0751
            43  C8y C    22.1196  -19.6391
            44  C1x C    23.7084  -18.5373
            45  C8y C    22.1196  -20.9843
            46  C1x C    25.6857  -19.1057
            47  C1x C    27.9060  -18.9027
            48  C1a C    22.8908  -24.9216
            49  C8x C    20.9773  -18.9724
            50  C1x C    24.4795  -17.5516
            51  C8x C    20.9773  -21.6570
            52  N1y N    25.6857  -17.8647
            53  C1z C    27.9471  -17.7605
            54  C8x C    19.8988  -19.6391
            55  C8x C    19.8988  -20.9843
            56  C1x C    26.8164  -17.1110
            57  C1b C    29.4548  -18.2881
            58  O1a O    28.7879  -16.4673
            59  C1a C    30.5158  -17.6503
            60  O5a O    35.8176  -26.5198
BOND        67
            1     1   2 2
            2     1   3 2
            3     1   4 1
            4     1   5 1
            5     6   7 1
            6     6   8 1
            7     6   9 1
            8     6  10 1 #Up
            9     7  11 1
            10    7  12 1
            11    8  13 1
            12    8  14 1
            13    9  15 2
            14    9  16 1
            15   10  17 1
            16   11  18 1
            17   11  19 1
            18   11  20 1 #Down
            19   12  21 1
            20   13  22 1 #Down
            21   13  23 1 #Up
            22   14  24 1
            23   15  25 1
            24   16  26 2
            25   18  27 1 #Up
            26   19  28 2
            27   20  29 1
            28   22  30 1
            29   25  31 2
            30   32  26 1 #Down
            31   31  33 1
            32   32  34 1
            33   32  35 1
            34   32  36 1 #Up
            35   33  37 1
            36   34  38 2
            37   34  39 1
            38   35  40 1
            39   36  41 1
            40   36  42 2
            41   38  43 1
            42   38  44 1
            43   39  45 1
            44   40  46 1 #Down
            45   40  47 1
            46   41  48 1
            47   43  49 1
            48   44  50 1
            49   45  51 1
            50   52  46 1 #Down
            51   47  53 1
            52   49  54 2
            53   51  55 2
            54   52  56 1
            55   53  57 1 #Down
            56   53  58 1 #Up
            57   57  59 1
            58   12  17 1
            59   13  18 1
            60   14  15 1
            61   21  28 1
            62   26  31 1
            63   43  45 2
            64   50  52 1
            65   53  56 1
            66   54  55 1
            67   22  60 2

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