KEGG   DRUG: Vinblastine sulfateHelp
Entry
D01068                      Drug                                   

Name
Vinblastine sulfate (JP17/USP);
Exal (TN);
Velban (TN)
Product
  Generic
Formula
C46H58N4O9. H2SO4
Exact mass
908.3878
Mol weight
909.0526
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Source
Catharanthus roseus [TAX:4058]
Class
Antineoplastic
 DG01965  Antineoplastic, vinca alkaloid
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
Same as: C11626
Therapeutic category: 4240
ATC code: L01CA01
Chemical structure group: DG00689
Product (DG00689): D01068<JP/US>
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
  Disease
Hodgkin's disease [DS:H00007]
Mycosis fungoides [DS:H01463]
Carcinoma of the testis [DS:H00023]
Kaposi's sarcoma [DS:H00041]
Choriocarcinoma [DS:H00028]
Carcinoma of the breast [DS:H00031]
Comment
Vinca alkaloid
Target
  Pathway
hsa04540  Gap junction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
map07042  Antineoplastics - agents from natural products
map07046  Immunosuppressive agents
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
     L01CA01 Vinblastine
      D01068  Vinblastine sulfate (JP17/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
     D01068  Vinblastine sulfate (JP17/USP)
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D01068  Vinblastine sulfate (JP17/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01068  Vinblastine sulfate
  D01068  Vinblastine sulfate for injection
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01068
BRITE hierarchy
Other DBs
CAS: 143-67-9
PubChem: 7848131
ChEBI: 9984
ChEMBL: CHEMBL376464
DrugBank: DB00570
LigandBox: D01068
NIKKAJI: J524.971F
LinkDB All DBs
KCF data Show

ATOM        64
            1   S4a S    32.3820  -14.5300
            2   O1d O    32.3820  -13.1300
            3   O1d O    32.3820  -15.9300
            4   O1d O    30.9819  -14.5300
            5   O1d O    33.7819  -14.5300
            6   C1z C    19.8800  -17.4300
            7   C8y C    18.7600  -16.6600
            8   C1x C    21.1400  -16.6600
            9   C7a C    19.5300  -18.6900
            10  C8y C    18.7600  -15.2600
            11  N4x N    17.6400  -17.2900
            12  C1y C    21.1400  -15.4000
            13  O7a O    18.0600  -19.1800
            14  O6a O    20.3700  -19.7400
            15  C8y C    16.4500  -15.2600
            16  C1x C    17.9900  -14.1400
            17  C8y C    16.4500  -16.6600
            18  C1x C    20.0200  -14.7700
            19  C1a C    17.2200  -20.5800
            20  C8x C    15.2600  -14.6300
            21  C1x C    18.7600  -13.1600
            22  C8x C    15.2600  -17.2900
            23  N1y N    20.0200  -13.5100
            24  C8x C    14.2100  -15.2600
            25  C8x C    14.2100  -16.6600
            26  C1x C    21.1400  -12.7400
            27  C1z C    22.2600  -13.3700
            28  C1x C    22.2600  -14.5600
            29  O1a O    23.5200  -12.6700
            30  C1b C    23.4724  -14.0700
            31  C1a C    23.4725  -15.4698
            32  C1z C    27.4400  -19.6000
            33  C1y C    28.5600  -18.9000
            34  C1y C    27.4400  -20.8600
            35  C1x C    26.6000  -18.4800
            36  C1z C    29.6800  -19.6000
            37  N1y N    28.5600  -17.5700
            38  C1z C    28.5600  -21.5600
            39  N1y N    26.3200  -21.5600
            40  C8y C    25.2000  -20.8600
            41  C1x C    27.2300  -17.5700
            42  C1y C    29.6800  -20.8600
            43  C2x C    30.8700  -18.9000
            44  C1b C    30.8000  -20.2300
            45  C1x C    29.6800  -16.9400
            46  C7a C    29.4700  -22.6800
            47  O1a O    28.0700  -23.4500
            48  C1a C    26.3200  -22.8900
            49  O7a O    33.0400  -22.1900
            50  C2x C    30.8700  -17.5700
            51  C1a C    31.9200  -19.6000
            52  O7a O    29.4700  -24.0100
            53  O6a O    30.8000  -22.1900
            54  C1a C    30.6600  -24.7100
            55  C1a C    35.4900  -22.1900
            56  C7a C    34.2300  -21.4900
            57  O6a O    34.2300  -20.0900
            58  C8y C    25.2000  -19.6000
            59  C8x C    24.0800  -18.9700
            60  C8x C    24.0800  -21.5600
            61  C8y C    22.9600  -19.6000
            62  C8y C    22.9600  -20.9300
            63  O2a O    21.8400  -21.5600
            64  C1a C    20.7200  -20.9300
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 #Up
            8     7  10 2
            9     7  11 1
            10    8  12 1
            11    9  13 1
            12    9  14 2
            13   10  15 1
            14   10  16 1
            15   11  17 1
            16   12  18 1 #Down
            17   12  28 1
            18   13  19 1
            19   15  20 1
            20   16  21 1
            21   17  22 1
            22   23  18 1 #Down
            23   20  24 2
            24   22  25 2
            25   23  26 1
            26   15  17 2
            27   21  23 1
            28   27  26 1
            29   24  25 1
            30   27  28 1
            31   27  29 1 #Up
            32   27  30 1 #Down
            33   30  31 1
            34   32  33 1
            35   32  34 1
            36   32  35 1 #Up
            37   33  36 1
            38   33  37 1
            39   34  38 1
            40   34  39 1
            41   35  41 1
            42   36  42 1
            43   36  43 1
            44   36  44 1 #Down
            45   37  45 1
            46   38  46 1 #Down
            47   38  47 1 #Up
            48   39  48 1
            49   42  49 1 #Up
            50   43  50 2
            51   44  51 1
            52   46  52 1
            53   37  41 1
            54   38  42 1
            55   39  40 1
            56   45  50 1
            57   46  53 2
            58   52  54 1
            59   55  56 1
            60   49  56 1
            61   56  57 2
            62   58  59 1
            63   40  60 1
            64   59  61 2
            65   60  62 2
            66   62  63 1
            67   63  64 1
            68   61  62 1
            69   58  32 1
            70   58  40 2
            71    6  61 1 #Down

» Japanese version   » Back

KEGG   DRUG: VinblastineHelp
Entry
D08675                      Drug                                   

Name
Vinblastine (INN);
Vinblastina (TN)
Formula
C46H58N4O9
Exact mass
810.4204
Mol weight
810.9741
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Source
Catharanthus roseus [TAX:4058]
Class
Antineoplastic
 DG01965  Antineoplastic, vinca alkaloid
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
Same as: C07201
ATC code: L01CA01
Chemical structure group: DG00689
Product (DG00689): D01068<JP/US>
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
Comment
Vinca alkaloid
Target
  Pathway
hsa04540  Gap junction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
map07042  Antineoplastics - agents from natural products
map07046  Immunosuppressive agents
Other map
map04976  Bile secretion
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
     L01CA01 Vinblastine
      D08675  Vinblastine (INN)
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D08675  Vinblastine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08675
BRITE hierarchy
Other DBs
CAS: 865-21-4
PubChem: 96025358
ChEBI: 27375
ChEMBL: CHEMBL22969
DrugBank: DB00570
LigandBox: D08675
NIKKAJI: J10.131A
LinkDB All DBs
KCF data Show

ATOM        59
            1   C1z C    19.1800  -16.6600
            2   C8y C    18.0600  -15.8900
            3   C1x C    20.4400  -15.8900
            4   C7a C    18.8300  -17.9200
            5   C8y C    18.0600  -14.4900
            6   N4x N    16.9400  -16.5200
            7   C1y C    20.4400  -14.6300
            8   O7a O    17.3600  -18.4100
            9   O6a O    19.6700  -18.9700
            10  C8y C    15.7500  -14.4900
            11  C1x C    17.2900  -13.3700
            12  C8y C    15.7500  -15.8900
            13  C1x C    19.3200  -14.0000
            14  C1a C    16.5200  -19.8100
            15  C8x C    14.5600  -13.8600
            16  C1x C    18.0600  -12.3900
            17  C8x C    14.5600  -16.5200
            18  N1y N    19.3200  -12.7400
            19  C8x C    13.5100  -14.4900
            20  C8x C    13.5100  -15.8900
            21  C1x C    20.4400  -11.9700
            22  C1z C    21.5600  -12.6000
            23  C1x C    21.5600  -13.7900
            24  O1a O    22.8200  -11.9000
            25  C1b C    22.7500  -13.3000
            26  C1a C    22.7500  -14.7000
            27  C1z C    26.7400  -18.8300
            28  C1y C    27.8600  -18.1300
            29  C1y C    26.7400  -20.0900
            30  C1x C    25.9000  -17.7100
            31  C1z C    28.9800  -18.8300
            32  N1y N    27.8600  -16.8000
            33  C1z C    27.8600  -20.7900
            34  N1y N    25.6200  -20.7900
            35  C8y C    24.5000  -20.0900
            36  C1x C    26.5300  -16.8000
            37  C1y C    28.9800  -20.0900
            38  C2x C    30.1700  -18.1300
            39  C1b C    30.1000  -19.4600
            40  C1x C    28.9800  -16.1700
            41  C7a C    28.7700  -21.9100
            42  O1a O    27.3700  -22.6800
            43  C1a C    25.6200  -22.1200
            44  O7a O    32.3400  -21.4200
            45  C2x C    30.1700  -16.8000
            46  C1a C    31.2200  -18.8300
            47  O7a O    28.7700  -23.2400
            48  O6a O    30.1000  -21.4200
            49  C1a C    29.9600  -23.9400
            50  C1a C    34.7900  -21.4200
            51  C7a C    33.5300  -20.7200
            52  O6a O    33.5300  -19.3200
            53  C8y C    24.5000  -18.8300
            54  C8x C    23.3800  -18.2000
            55  C8x C    23.3800  -20.7900
            56  C8y C    22.2600  -18.8300
            57  C8y C    22.2600  -20.1600
            58  O2a O    21.1400  -20.7900
            59  C1a C    20.0200  -20.1600
BOND        67
            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    5  11 1
            11    6  12 1
            12    7  13 1 #Down
            13    7  23 1
            14    8  14 1
            15   10  15 1
            16   11  16 1
            17   12  17 1
            18   18  13 1 #Down
            19   15  19 2
            20   17  20 2
            21   18  21 1
            22   10  12 2
            23   16  18 1
            24   22  21 1
            25   19  20 1
            26   22  23 1
            27   22  24 1 #Up
            28   22  25 1 #Down
            29   25  26 1
            30   27  28 1
            31   27  29 1
            32   27  30 1 #Up
            33   28  31 1
            34   28  32 1
            35   29  33 1
            36   29  34 1
            37   30  36 1
            38   31  37 1
            39   31  38 1
            40   31  39 1 #Down
            41   32  40 1
            42   33  41 1 #Down
            43   33  42 1 #Up
            44   34  43 1
            45   37  44 1 #Up
            46   38  45 2
            47   39  46 1
            48   41  47 1
            49   32  36 1
            50   33  37 1
            51   34  35 1
            52   40  45 1
            53   41  48 2
            54   47  49 1
            55   50  51 1
            56   44  51 1
            57   51  52 2
            58   53  54 1
            59   35  55 1
            60   54  56 2
            61   55  57 2
            62   57  58 1
            63   58  59 1
            64   56  57 1
            65   53  27 1
            66   53  35 2
            67    1  56 1 #Down

» Japanese version   » Back

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