KEGG   DRUG: Vinepidine sulfateHelp
Entry
D06305                      Drug                                   

Name
Vinepidine sulfate (USAN)
Formula
C46H56N4O9. H2SO4
Exact mass
906.3721
Mol weight
907.0367
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01965  Antineoplastic, vinca alkaloid
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
Comment
Vinca alkaloid
Vincristine derivarive
Target
  Pathway
hsa04540  Gap junction
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D06305  Vinepidine sulfate (USAN)
BRITE hierarchy
Other DBs
CAS: 83200-11-7
PubChem: 47207962
LigandBox: D06305
LinkDB All DBs
KCF data Show

ATOM        64
            1   S4a S    34.4820  -13.4100
            2   O1d O    34.4820  -12.0100
            3   O1d O    34.4820  -14.8100
            4   O1d O    33.0819  -13.4100
            5   O1d O    35.8819  -13.4100
            6   C1z C    29.6069  -19.3691
            7   C1y C    30.7375  -18.7024
            8   C1y C    29.6127  -20.6739
            9   C8y C    27.3571  -19.3691
            10  C1x C    28.7720  -18.2907
            11  C1z C    31.8800  -19.3634
            12  N1y N    30.7259  -17.3803
            13  C1z C    30.7491  -21.3233
            14  N1y N    28.4762  -21.3233
            15  C8y C    27.3571  -20.6739
            16  C8x C    26.2205  -18.7197
            17  C1x C    29.4330  -17.3750
            18  C1y C    31.8216  -20.6797
            19  C2x C    33.0107  -18.6908
            20  C1b C    32.9759  -19.9955
            21  C1x C    31.8741  -16.7193
            22  C7a C    31.6422  -22.5021
            23  O1a O    30.2563  -23.2253
            24  C4a C    28.4626  -22.6991
            25  C8x C    26.2205  -21.3292
            26  C8y C    25.1130  -19.3634
            27  O7a O    35.2332  -21.5276
            28  C2x C    33.0164  -17.3687
            29  C1a C    34.0891  -19.3577
            30  O7a O    31.6314  -23.7720
            31  C8y C    25.1130  -20.6739
            32  C1z C    22.6881  -17.1939
            33  O2a O    23.9997  -21.3117
            34  C8y C    21.5633  -16.4343
            35  C1x C    23.9521  -16.4576
            36  C7a C    22.3286  -18.4929
            37  C1a C    22.8865  -20.6622
            38  C8y C    21.5633  -15.0891
            39  N4x N    20.4383  -17.1070
            40  C1y C    23.9521  -15.1703
            41  O7a O    20.8907  -18.9510
            42  O6a O    23.1577  -19.5251
            43  C8y C    19.2496  -15.0891
            44  C1x C    20.8384  -13.9873
            45  C8y C    19.2496  -16.4343
            46  C1x C    22.8157  -14.5557
            47  C1x C    25.0360  -14.3527
            48  C1a C    20.0208  -20.3716
            49  C8x C    18.1073  -14.4224
            50  C1x C    21.6095  -13.0016
            51  C8x C    18.1073  -17.1070
            52  N1y N    22.8157  -13.3147
            53  C1y C    25.0771  -13.2105
            54  C8x C    17.0288  -15.0891
            55  C8x C    17.0288  -16.4343
            56  C1x C    23.9464  -12.5610
            57  O6a O    32.9476  -21.9698
            58  C7a C    36.4224  -20.8600
            59  C1a C    37.6349  -21.5600
            60  O6a O    36.4309  -19.4603
            61  C1a C    32.8438  -24.4720
            62  O4a O    27.2722  -23.3707
            63  C1b C    26.2799  -12.5431
            64  C1a C    27.4525  -13.2470
BOND        71
            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   12  17 1
            56   13  18 1
            57   14  15 1
            58   21  28 1
            59   26  31 1
            60   43  45 2
            61   50  52 1
            62   53  56 1
            63   54  55 1
            64   22  57 2
            65   27  58 1
            66   58  59 1
            67   58  60 2
            68   30  61 1
            69   24  62 2
            70   53  63 1 #Up
            71   63  64 1

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