KEGG   DRUG: Vinorelbine tartrate
Entry
D01935                      Drug                                   

Name
Vinorelbine tartrate (USP);
Vinorelbine ditartrate (JAN);
KW 2307;
Navelbine (TN)
Product
  Generic
Formula
C45H54N4O8. (C4H6O6)2
Exact mass
1078.427
Mol weight
1079.1059
Structure
Class
Antineoplastic
 DG01965  Antineoplastic, vinca alkaloid
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
Therapeutic category: 4240
ATC code: L01CA04
Chemical structure group: DG00692
Product (DG00692): D01935<JP/US>
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
  Disease
Non-small cell lung cancer [DS:H00014]
Comment
Semisynthetic vinblastine derivative
Target
  Pathway
hsa04540  Gap junction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
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
     L01CA04 Vinorelbine
      D01935  Vinorelbine tartrate (USP) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   424  Plant extract preparations
    4240  Plant extract preparations
     D01935  Vinorelbine tartrate (USP); Vinorelbine ditartrate (JAN)
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D01935  Vinorelbine tartrate (USP) <JP/US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01935
Other DBs
CAS: 125317-39-7
PubChem: 7848997
ChEBI: 32296
DrugBank: DB00361
LigandBox: D01935
NIKKAJI: J533.816F
LinkDB
KCF data

ATOM        77
            1   O6a O    21.2046  -10.0318
            2   C6a C    22.4151   -9.3310
            3   C1c C    23.6256  -10.0318
            4   C1c C    24.8360   -9.3310
            5   C6a C    26.0465  -10.0318
            6   O6a O    27.2570   -9.3310
            7   O6a O    22.4151   -7.9294
            8   O1a O    23.6256  -11.4334
            9   O1a O    24.8360   -7.9294
            10  O6a O    26.0465  -11.4334
            11  C1z C     7.4200  -11.4800
            12  C8y C     6.3000  -10.7100
            13  C1x C     8.6800  -10.7100
            14  C7a C     7.0700  -12.7400
            15  C8y C     6.3000   -9.3100
            16  N4x N     5.1800  -11.3400
            17  C1y C     8.6800   -9.4500
            18  O7a O     5.6000  -13.2300
            19  O6a O     7.9100  -13.7900
            20  C8y C     3.9900   -9.3100
            21  C8y C     3.9900  -10.7100
            22  C1x C     7.5600   -8.8200
            23  C1a C     4.7600  -14.6300
            24  C8x C     2.8000   -8.6800
            25  C8x C     2.8000  -11.3400
            26  N1y N     7.5600   -7.5600
            27  C8x C     1.7500   -9.3100
            28  C8x C     1.7500  -10.7100
            29  C1x C     8.6800   -6.7900
            30  C2y C     9.8000   -7.4200
            31  C2x C     9.8000   -8.6100
            32  C1b C    11.0600   -6.7200
            33  C1a C    12.2500   -7.4200
            34  C1x C     6.3000   -7.9100
            35  C1z C    14.9800  -13.6500
            36  C1y C    16.1000  -12.9500
            37  C1y C    14.9800  -14.9100
            38  C1x C    14.1400  -12.5300
            39  C1z C    17.2200  -13.6500
            40  N1y N    16.1000  -11.6200
            41  C1z C    16.1000  -15.6100
            42  N1y N    13.8600  -15.6100
            43  C8y C    12.7400  -14.9100
            44  C1x C    14.7700  -11.6200
            45  C1y C    17.2200  -14.9100
            46  C2x C    18.4100  -12.9500
            47  C1b C    18.3400  -14.2800
            48  C1x C    17.2200  -10.9900
            49  C7a C    17.0100  -16.7300
            50  O1a O    15.6100  -17.5000
            51  C1a C    13.8600  -16.9400
            52  O7a O    20.5800  -16.2400
            53  C2x C    18.4100  -11.6200
            54  C1a C    19.4600  -13.6500
            55  O7a O    17.0100  -18.0600
            56  O6a O    18.3400  -16.2400
            57  C1a C    18.2000  -18.7600
            58  C1a C    23.0300  -16.2400
            59  C7a C    21.7700  -15.5400
            60  O6a O    21.7700  -14.1400
            61  C8y C    12.7400  -13.6500
            62  C8x C    11.6200  -13.0200
            63  C8x C    11.6200  -15.6100
            64  C8y C    10.5000  -13.6500
            65  C8y C    10.5000  -14.9800
            66  O2a O     9.3800  -15.6100
            67  C1a C     8.2600  -14.9800
            68  O6a O    21.2046  -10.0318
            69  C6a C    22.4151   -9.3310
            70  C1c C    23.6256  -10.0318
            71  C1c C    24.8360   -9.3310
            72  C6a C    26.0465  -10.0318
            73  O6a O    27.2570   -9.3310
            74  O6a O    26.0465  -11.4334
            75  O1a O    24.8360   -7.9294
            76  O1a O    23.6256  -11.4334
            77  O6a O    22.4151   -7.9294
BOND        83
            1    11  12 1
            2    11  13 1
            3    11  14 1 #Up
            4    12  15 2
            5    12  16 1
            6    13  17 1
            7    14  18 1
            8    14  19 2
            9    15  20 1
            10   16  21 1
            11   17  22 1
            12   17  31 1
            13   18  23 1
            14   20  24 1
            15   21  25 1
            16   26  22 1
            17   24  27 2
            18   25  28 2
            19   26  29 1
            20   20  21 2
            21   30  29 1
            22   27  28 1
            23   30  31 2
            24   30  32 1
            25   32  33 1
            26   15  34 1
            27   26  34 1 #Up
            28   35  36 1
            29   35  37 1
            30   35  38 1 #Up
            31   36  39 1
            32   36  40 1
            33   37  41 1
            34   37  42 1
            35   38  44 1
            36   39  45 1
            37   39  46 1
            38   39  47 1 #Down
            39   40  48 1
            40   41  49 1 #Down
            41   41  50 1 #Up
            42   42  51 1
            43   45  52 1 #Up
            44   46  53 2
            45   47  54 1
            46   49  55 1
            47   40  44 1
            48   41  45 1
            49   42  43 1
            50   48  53 1
            51   49  56 2
            52   55  57 1
            53   58  59 1
            54   52  59 1
            55   59  60 2
            56   61  62 1
            57   43  63 1
            58   62  64 2
            59   63  65 2
            60   65  66 1
            61   66  67 1
            62   64  65 1
            63   61  35 1
            64   61  43 2
            65   11  64 1 #Down
            66    1   2 1
            67    2   3 1
            68    3   4 1
            69    4   5 1
            70    5   6 1
            71    2   7 2
            72    3   8 1 #Up
            73    4   9 1 #Up
            74    5  10 2
            75   68  69 1
            76   69  70 1
            77   70  71 1
            78   71  72 1
            79   72  73 1
            80   69  77 2
            81   70  76 1 #Up
            82   71  75 1 #Up
            83   72  74 2
BRACKET     1    19.8800  -12.1800   19.8800   -7.0000
            1    28.7000   -7.0000   28.7000  -12.1800
            1  2
 ORIGINAL  1    1   2   3   4   5   6  10   9   8   7
 REPEAT    1   70  71  72  73  74  75  76  77  78  79

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