KEGG   DRUG: Vindesine sulfateHelp
Entry
D01769                      Drug                                   

Name
Vindesine sulfate (JAN/USAN);
Fildesin (TN)
Formula
C43H55N5O7. H2SO4
Exact mass
851.3775
Mol weight
852.0046
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01965  Antineoplastic, vinca alkaloid
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
Drug 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 components
   Cytoskeleton
    TUBB
     D01769  Vindesine sulfate (JAN/USAN) <JP>
Antineoplastics [br08340.html]
 D01769
BRITE hierarchy
Other DBs
CAS: 59917-39-4
PubChem: 7848832
ChEBI: 32295
ChEMBL: CHEMBL2105882
DrugBank: DB00309
LigandBox: D01769
NIKKAJI: J277.863G J300.718I
LinkDB All DBs
KCF data Show

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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