KEGG   DRUG: Vinflunine ditartrateHelp
Entry
D09032                      Drug                                   

Name
Vinflunine ditartrate (USAN);
Javlor (TN)
Formula
C45H54F2N4O8. (C4H6O6)2
Exact mass
1116.4238
Mol weight
1117.1027
Structure
Mol fileKCF fileDB search
Class
Antineoplastic
 DG01965  Antineoplastic, vinca alkaloid
Remark
ATC code: L01CA05
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
Comment
Synthesised vinca alkaloid
Target
  Pathway
hsa04540  Gap junction
Interaction
Drug interaction
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
     L01CA05 Vinflunine
      D09032  Vinflunine ditartrate (USAN)
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular components
   Cytoskeleton
    TUBB
     D09032  Vinflunine ditartrate (USAN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09032
BRITE hierarchy
Other DBs
CAS: 194468-36-5
PubChem: 96025715
LigandBox: D09032
LinkDB All DBs
KCF data Show

ATOM        79
            1   C1z C    23.5900  -19.2500
            2   C1y C    24.7100  -18.5500
            3   C1y C    23.5900  -20.5100
            4   C8y C    21.3500  -19.2500
            5   C1x C    22.7500  -18.1300
            6   C1z C    25.8300  -19.2500
            7   N1y N    24.7100  -17.2200
            8   C1z C    24.7100  -21.2100
            9   N1y N    22.4700  -21.2100
            10  C8y C    21.3500  -20.5100
            11  C8x C    20.2300  -18.5500
            12  C1x C    23.3800  -17.2200
            13  C1y C    25.8300  -20.5100
            14  C2x C    27.0200  -18.5500
            15  C1b C    26.9500  -19.8800
            16  C1x C    25.8300  -16.5900
            17  C7a C    25.6200  -22.3300
            18  O1a O    24.2200  -23.1000
            19  C1a C    22.4700  -22.5400
            20  C8x C    20.2300  -21.2100
            21  C8y C    19.1100  -19.2500
            22  O7a O    29.1900  -21.4200
            23  C2x C    27.0200  -17.2200
            24  C1a C    28.0700  -19.2500
            25  O7a O    25.6200  -23.6600
            26  C8y C    19.1100  -20.5100
            27  C1z C    16.6600  -17.0800
            28  O2a O    17.9900  -21.1400
            29  C8y C    15.5400  -16.3100
            30  C1x C    17.9200  -16.3100
            31  C7a C    16.3100  -18.3400
            32  C1a C    16.8700  -20.5100
            33  C8y C    15.5400  -14.9800
            34  N4x N    14.4200  -16.9400
            35  C1y C    17.9200  -15.0500
            36  O7a O    14.8400  -18.8300
            37  O6a O    17.1500  -19.3900
            38  C8y C    13.2300  -14.9800
            39  C1x C    15.1900  -13.6500
            40  C8y C    13.2300  -16.3100
            41  C1x C    16.8000  -14.4200
            42  C1x C    19.0400  -14.2100
            43  C1a C    14.0000  -20.2300
            44  C8x C    12.1100  -14.2800
            45  C8x C    12.1100  -16.9400
            46  N1y N    16.8000  -13.1600
            47  C1y C    19.0400  -13.0900
            48  C8x C    10.9900  -14.9800
            49  C8x C    10.9900  -16.3100
            50  C1x C    17.9200  -12.3900
            51  O6a O    26.9500  -21.8400
            52  C7a C    30.3800  -20.7200
            53  C1a C    31.6400  -21.4200
            54  O6a O    30.3800  -19.3200
            55  C1a C    26.8100  -24.3600
            56  C1d C    20.5800  -13.5800
            57  C1a C    21.9323  -13.9423
            58  X   F    20.1865  -14.9236
            59  X   F    20.9735  -12.2364
            60  O6a O    35.3500  -18.9700
            61  C6a C    36.5624  -18.2700
            62  C1c C    37.7749  -18.9700
            63  C1c C    38.9873  -18.2700
            64  C6a C    40.1997  -18.9700
            65  O6a O    41.4122  -18.2700
            66  O6a O    36.5624  -16.8702
            67  O6a O    40.1997  -20.3699
            68  O1a O    37.7749  -20.3698
            69  O1a O    38.9873  -16.8700
            70  O6a O    35.3500  -18.9700
            71  C6a C    36.5624  -18.2700
            72  C1c C    37.7749  -18.9700
            73  C1c C    38.9873  -18.2700
            74  C6a C    40.1997  -18.9700
            75  O6a O    41.4122  -18.2700
            76  O6a O    40.1997  -20.3699
            77  O1a O    38.9873  -16.8700
            78  O1a O    37.7749  -20.3698
            79  O6a O    36.5624  -16.8702
BOND        85
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Down
            15    7  16 1
            16    8  17 1 #Down
            17    8  18 1 #Up
            18    9  19 1
            19   10  20 1
            20   11  21 2
            21   13  22 1 #Up
            22   14  23 2
            23   15  24 1
            24   17  25 1
            25   20  26 2
            26   27  21 1 #Down
            27   26  28 1
            28   27  29 1
            29   27  30 1
            30   27  31 1 #Up
            31   28  32 1
            32   29  33 2
            33   29  34 1
            34   30  35 1
            35   31  36 1
            36   31  37 2
            37   33  38 1
            38   33  39 1
            39   34  40 1
            40   35  41 1 #Down
            41   35  42 1
            42   36  43 1
            43   38  44 1
            44   40  45 1
            45   46  41 1 #Down
            46   42  47 1
            47   44  48 2
            48   45  49 2
            49   46  50 1
            50    7  12 1
            51    8  13 1
            52    9  10 1
            53   16  23 1
            54   21  26 1
            55   38  40 2
            56   47  50 1
            57   48  49 1
            58   17  51 2
            59   22  52 1
            60   52  53 1
            61   52  54 2
            62   25  55 1
            63   56  57 1
            64   56  58 1
            65   56  59 1
            66   47  56 1 #Down
            67   39  46 1
            68   60  61 1
            69   61  62 1
            70   62  63 1
            71   63  64 1
            72   64  65 1
            73   61  66 2
            74   64  67 2
            75   62  68 1 #Up
            76   63  69 1 #Up
            77   70  71 1
            78   71  72 1
            79   72  73 1
            80   73  74 1
            81   74  75 1
            82   71  79 2
            83   74  76 2
            84   72  78 1 #Up
            85   73  77 1 #Up
BRACKET     1    34.3000  -21.6300   34.3000  -15.9600
            1    42.9100  -16.0300   42.9100  -21.7000
            1  2
 ORIGINAL  1   62  63  64  65  66  67  69  71  70  68
 REPEAT    1   72  73  74  75  76  77  78  79  80  81

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