KEGG   DRUG: VinorelbineHelp
Entry
D08680                      Drug                                   

Name
Vinorelbine (INN);
Navelbine (TN)
Formula
C45H54N4O8
Exact mass
778.3942
Mol weight
778.9323
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01965  Antineoplastic, vinca alkaloid
Enzyme substrate
 DG01633  CYP3A substrate
Remark
ATC code: L01CA04
Chemical structure group: DG00692
Product (DG00692): D01935<JP/US>
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
Comment
Semisynthetic vinblastine derivative
Target
  Pathway
hsa04540  Gap junction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
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
     L01CA04 Vinorelbine
      D08680  Vinorelbine (INN)
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular components
   Cytoskeleton
    TUBB
     D08680  Vinorelbine (INN)
BRITE hierarchy
Other DBs
CAS: 71486-22-1
PubChem: 96025363
ChEBI: 480999
ChEMBL: CHEMBL553025
DrugBank: DB00361
LigandBox: D08680
NIKKAJI: J328.171J
LinkDB All DBs
KCF data Show

ATOM        57
            1   C1z C    27.0900  -27.5100
            2   C8y C    25.9700  -26.7400
            3   C1x C    28.3500  -26.7400
            4   C7a C    26.7400  -28.7700
            5   C8y C    25.9700  -25.3400
            6   N4x N    24.8500  -27.3700
            7   C1y C    28.3500  -25.4800
            8   O7a O    25.2700  -29.2600
            9   O6a O    27.5800  -29.8200
            10  C8y C    23.6600  -25.3400
            11  C8y C    23.6600  -26.7400
            12  C1x C    27.2300  -24.8500
            13  C1a C    24.4300  -30.6600
            14  C8x C    22.4700  -24.7100
            15  C8x C    22.4700  -27.3700
            16  N1y N    27.2300  -23.5900
            17  C8x C    21.4200  -25.3400
            18  C8x C    21.4200  -26.7400
            19  C1x C    28.3500  -22.8200
            20  C2y C    29.4700  -23.4500
            21  C2x C    29.4700  -24.6400
            22  C1b C    30.7300  -22.7500
            23  C1a C    31.9200  -23.4500
            24  C1x C    25.9700  -23.9400
            25  C1z C    34.6500  -29.6800
            26  C1y C    35.7700  -28.9800
            27  C1y C    34.6500  -30.9400
            28  C1x C    33.8100  -28.5600
            29  C1z C    36.8900  -29.6800
            30  N1y N    35.7700  -27.6500
            31  C1z C    35.7700  -31.6400
            32  N1y N    33.5300  -31.6400
            33  C8y C    32.4100  -30.9400
            34  C1x C    34.4400  -27.6500
            35  C1y C    36.8900  -30.9400
            36  C2x C    38.0800  -28.9800
            37  C1b C    38.0100  -30.3100
            38  C1x C    36.8900  -27.0200
            39  C7a C    36.6800  -32.7600
            40  O1a O    35.2800  -33.5300
            41  C1a C    33.5300  -32.9700
            42  O7a O    40.2500  -32.2700
            43  C2x C    38.0800  -27.6500
            44  C1a C    39.1300  -29.6800
            45  O7a O    36.6800  -34.0900
            46  O6a O    38.0100  -32.2700
            47  C1a C    37.8700  -34.7900
            48  C1a C    42.7000  -32.2700
            49  C7a C    41.4400  -31.5700
            50  O6a O    41.4400  -30.1700
            51  C8y C    32.4100  -29.6800
            52  C8x C    31.2900  -29.0500
            53  C8x C    31.2900  -31.6400
            54  C8y C    30.1700  -29.6800
            55  C8y C    30.1700  -31.0100
            56  O2a O    29.0500  -31.6400
            57  C1a C    27.9300  -31.0100
BOND        65
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    7  21 1
            13    8  13 1
            14   10  14 1
            15   11  15 1
            16   16  12 1
            17   14  17 2
            18   15  18 2
            19   16  19 1
            20   10  11 2
            21   20  19 1
            22   17  18 1
            23   20  21 2
            24   20  22 1
            25   22  23 1
            26    5  24 1
            27   16  24 1 #Up
            28   25  26 1
            29   25  27 1
            30   25  28 1 #Up
            31   26  29 1
            32   26  30 1
            33   27  31 1
            34   27  32 1
            35   28  34 1
            36   29  35 1
            37   29  36 1
            38   29  37 1 #Down
            39   30  38 1
            40   31  39 1 #Down
            41   31  40 1 #Up
            42   32  41 1
            43   35  42 1 #Up
            44   36  43 2
            45   37  44 1
            46   39  45 1
            47   30  34 1
            48   31  35 1
            49   32  33 1
            50   38  43 1
            51   39  46 2
            52   45  47 1
            53   48  49 1
            54   42  49 1
            55   49  50 2
            56   51  52 1
            57   33  53 1
            58   52  54 2
            59   53  55 2
            60   55  56 1
            61   56  57 1
            62   54  55 1
            63   51  25 1
            64   51  33 2
            65    1  54 1 #Down

» Japanese version   » Back

DBGET integrated database retrieval system