KEGG   DRUG: VindesineHelp
Entry
D06304                      Drug                                   

Name
Vindesine (USAN/INN)
Formula
C43H55N5O7
Exact mass
753.4101
Mol weight
753.9261
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01965  Antineoplastic, vinca alkaloid
Metabolizing enzyme substrate
 DG01633  CYP3A substrate
Remark
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
      D06304  Vindesine (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D06304  Vindesine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 53643-48-4
PubChem: 47207961
ChEMBL: CHEMBL219146
DrugBank: DB00309
LigandBox: D06304
NIKKAJI: J24.547J
LinkDB All DBs
KCF data Show

ATOM        55
            1   C1z C    22.0469  -23.5691
            2   C1y C    23.1775  -22.9024
            3   C1y C    22.0527  -24.8739
            4   C8y C    19.7971  -23.5691
            5   C1x C    21.2120  -22.4907
            6   C1z C    24.3200  -23.5634
            7   N1y N    23.1659  -21.5803
            8   C1z C    23.1891  -25.5233
            9   N1y N    20.9162  -25.5233
            10  C8y C    19.7971  -24.8739
            11  C8x C    18.6605  -22.9197
            12  C1x C    21.8730  -21.5750
            13  C1y C    24.2616  -24.8797
            14  C2x C    25.4507  -22.8908
            15  C1b C    25.4159  -24.1955
            16  C1x C    24.3141  -20.9193
            17  C5a C    24.0822  -26.7021
            18  O1a O    22.6963  -27.4253
            19  C1a C    20.9026  -26.8991
            20  C8x C    18.6605  -25.5292
            21  C8y C    17.5530  -23.5634
            22  O1a O    26.7632  -25.7276
            23  C2x C    25.4564  -21.5687
            24  C1a C    26.5291  -23.5577
            25  N1a N    24.0714  -27.9720
            26  C8y C    17.5530  -24.8739
            27  C1z C    15.1281  -21.3939
            28  O2a O    16.4397  -25.5117
            29  C8y C    14.0033  -20.6343
            30  C1x C    16.3921  -20.6576
            31  C7a C    14.7686  -22.6929
            32  C1a C    15.3265  -24.8622
            33  C8y C    14.0033  -19.2891
            34  N4x N    12.8783  -21.3070
            35  C1y C    16.3921  -19.3703
            36  O7a O    13.3307  -23.1510
            37  O6a O    15.5977  -23.7251
            38  C8y C    11.6896  -19.2891
            39  C1x C    13.2784  -18.1873
            40  C8y C    11.6896  -20.6343
            41  C1x C    15.2557  -18.7557
            42  C1x C    17.4760  -18.5527
            43  C1a C    12.4608  -24.5716
            44  C8x C    10.5473  -18.6224
            45  C1x C    14.0495  -17.2016
            46  C8x C    10.5473  -21.3070
            47  N1y N    15.2557  -17.5147
            48  C1z C    17.5171  -17.4105
            49  C8x C     9.4688  -19.2891
            50  C8x C     9.4688  -20.6343
            51  C1x C    16.3864  -16.7610
            52  C1b C    19.0248  -17.9381
            53  O1a O    18.3579  -16.1173
            54  C1a C    20.0858  -17.3003
            55  O5a O    25.3876  -26.1698
BOND        63
            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   39  45 1
            45   40  46 1
            46   47  41 1 #Down
            47   42  48 1
            48   44  49 2
            49   46  50 2
            50   47  51 1
            51   48  52 1 #Down
            52   48  53 1 #Up
            53   52  54 1
            54    7  12 1
            55    8  13 1
            56    9  10 1
            57   16  23 1
            58   21  26 1
            59   38  40 2
            60   45  47 1
            61   48  51 1
            62   49  50 1
            63   17  55 2

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