KEGG   DRUG: Vincristine sulfate
Entry
D02197                      Drug                                   

Name
Vincristine sulfate (JP18/USP);
VCR;
Marqibo (TN);
Oncovin (TN);
Vincasar (TN);
Vincrex (TN)
Product
  Generic
Formula
C46H56N4O10. H2SO4
Exact mass
922.367
Mol weight
923.0361
Structure
Simcomp
Source
Catharanthus roseus [TAX:4058]
Class
Antineoplastic
 DG01965  Vinca alkaloid antineoplastic
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
Same as: C13974
Therapeutic category: 4240
ATC code: L01CA02
Chemical structure group: DG00690
Product (DG00690): D02197<JP/US>
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
  Disease
Acute lymphoblastic leukemia (Philadelphia chromosome-negative) [DS:H00001 H00002]
Hodgkin's disease [DS:H00007]
Non–Hodgkin's malignant lymphomas [DS:H02418]
Rhabdomyosarcoma [DS:H00037]
Neuroblastoma [DS:H00043]
Wilms' tumor [DS:H02301]
Comment
Vinca alkaloid
Target
  Pathway
hsa04540  Gap junction
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
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
     L01CA02 Vincristine
      D02197  Vincristine sulfate (JP18/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
     D02197  Vincristine sulfate (JP18/USP)
Drug groups [BR:br08330]
 Antineoplastic
  DG01965  Vinca alkaloid antineoplastic
   DG00690  Vincristine
    D02197  Vincristine sulfate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00690  Vincristine
    D02197  Vincristine sulfate
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D02197  Vincristine sulfate (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02197  Vincristine sulfate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02197
Drug groups [BR:br08330]
 Antineoplastic
  DG01965  Vinca alkaloid antineoplastic
   DG00690  Vincristine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00690  Vincristine
Other DBs
CAS: 2068-78-2
PubChem: 7849257
ChEBI: 79401
ChEMBL: CHEMBL501867
DrugBank: DB00541
LigandBox: D02197
NIKKAJI: J300.702B
LinkDB
KCF data

ATOM        65
            1   S4a S    29.0733  -14.7233
            2   O1d O    29.0733  -13.3233
            3   O1d O    29.0733  -16.1233
            4   O1d O    30.4733  -14.7233
            5   O1d O    27.6733  -14.7233
            6   C1z C    22.8169  -19.7891
            7   C1y C    23.9475  -19.1224
            8   C1y C    22.8227  -21.0939
            9   C8y C    20.5671  -19.7891
            10  C1x C    21.9820  -18.7107
            11  C1z C    25.0900  -19.7834
            12  N1y N    23.9359  -17.8003
            13  C1z C    23.9591  -21.7433
            14  N1y N    21.6862  -21.7433
            15  C8y C    20.5671  -21.0939
            16  C8x C    19.4305  -19.1397
            17  C1x C    22.6430  -17.7950
            18  C1y C    25.0316  -21.0997
            19  C2x C    26.2207  -19.1108
            20  C1b C    26.1859  -20.4155
            21  C1x C    25.0841  -17.1393
            22  C7a C    24.8522  -22.9221
            23  O1a O    23.4663  -23.6453
            24  C4a C    21.0426  -22.8391
            25  C8x C    19.4305  -21.7492
            26  C8y C    18.3230  -19.7834
            27  O7a O    27.5332  -21.9476
            28  C2x C    26.2264  -17.7887
            29  C1a C    27.2991  -19.7777
            30  O7a O    24.8414  -24.1920
            31  C8y C    18.3230  -21.0939
            32  C1z C    15.8281  -17.4039
            33  C7a C    28.8147  -22.0060
            34  C1a C    23.6751  -24.9167
            35  O2a O    17.2097  -21.7317
            36  C8y C    14.7033  -16.6443
            37  C1x C    17.0921  -16.6676
            38  C7a C    15.4686  -18.7029
            39  C1a C    29.4468  -20.8753
            40  O6a O    29.4700  -23.1018
            41  C1a C    16.0965  -21.0822
            42  C8y C    14.7033  -15.2991
            43  N4x N    13.5783  -17.3170
            44  C1y C    17.0921  -15.3803
            45  O7a O    14.0307  -19.1610
            46  O6a O    16.2977  -19.7351
            47  C8y C    12.3896  -15.2991
            48  C1x C    13.9784  -14.1973
            49  C8y C    12.3896  -16.6443
            50  C1x C    15.9557  -14.7657
            51  C1x C    18.1760  -14.5627
            52  C1a C    13.1608  -20.5816
            53  C8x C    11.2473  -14.6324
            54  C1x C    14.7495  -13.2116
            55  C8x C    11.2473  -17.3170
            56  N1y N    15.9557  -13.5247
            57  C1z C    18.2171  -13.4205
            58  C8x C    10.1688  -15.2991
            59  C8x C    10.1688  -16.6443
            60  C1x C    17.0864  -12.7710
            61  C1b C    19.7248  -13.9481
            62  O1a O    19.0579  -12.1273
            63  C1a C    20.7858  -13.3103
            64  O6a O    26.1576  -22.3898
            65  O4a O    19.6700  -22.8285
BOND        72
            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
            8     6  10 1 #Up
            9     7  11 1
            10    7  12 1
            11    8  13 1
            12    8  14 1
            13    9  15 2
            14    9  16 1
            15   10  17 1
            16   11  18 1
            17   11  19 1
            18   11  20 1 #Down
            19   12  21 1
            20   13  22 1 #Down
            21   13  23 1 #Up
            22   14  24 1
            23   15  25 1
            24   16  26 2
            25   18  27 1 #Up
            26   19  28 2
            27   20  29 1
            28   22  30 1
            29   25  31 2
            30   32  26 1 #Down
            31   27  33 1
            32   30  34 1
            33   31  35 1
            34   32  36 1
            35   32  37 1
            36   32  38 1 #Up
            37   33  39 1
            38   33  40 2
            39   35  41 1
            40   36  42 2
            41   36  43 1
            42   37  44 1
            43   38  45 1
            44   38  46 2
            45   42  47 1
            46   42  48 1
            47   43  49 1
            48   44  50 1 #Down
            49   44  51 1
            50   45  52 1
            51   47  53 1
            52   48  54 1
            53   49  55 1
            54   56  50 1 #Down
            55   51  57 1
            56   53  58 2
            57   55  59 2
            58   56  60 1
            59   57  61 1 #Down
            60   57  62 1 #Up
            61   61  63 1
            62   12  17 1
            63   13  18 1
            64   14  15 1
            65   21  28 1
            66   26  31 1
            67   47  49 2
            68   54  56 1
            69   57  60 1
            70   58  59 1
            71   22  64 2
            72   24  65 2

» Japanese version   » Back

KEGG   DRUG: Vincristine
Entry
D08679                      Drug                                   

Name
Vincristine (INN);
Tecnocris (TN)
Formula
C46H56N4O10
Exact mass
824.3996
Mol weight
824.9576
Structure
Simcomp
Source
Catharanthus roseus (Vinca rosea) [TAX:4058]
Class
Antineoplastic
 DG01965  Vinca alkaloid antineoplastic
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
Same as: C07204
ATC code: L01CA02
Chemical structure group: DG00690
Product (DG00690): D02197<JP/US>
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
Comment
Vinca alkaloid from Catharanthus roseus (Madagascar periwinkle)
Target
  Pathway
hsa04540  Gap junction
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
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
     L01CA02 Vincristine
      D08679  Vincristine (INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01965  Vinca alkaloid antineoplastic
   DG00690  Vincristine
    D08679  Vincristine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00690  Vincristine
    D08679  Vincristine
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D08679  Vincristine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08679
Drug groups [BR:br08330]
 Antineoplastic
  DG01965  Vinca alkaloid antineoplastic
   DG00690  Vincristine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00690  Vincristine
Other DBs
CAS: 57-22-7
PubChem: 96025362
ChEBI: 28445
ChEMBL: CHEMBL90555
DrugBank: DB00541
LigandBox: D08679
NIKKAJI: J10.132J
LinkDB
KCF data

ATOM        60
            1   C1z C    27.1600  -19.2500
            2   C1y C    28.2800  -18.5500
            3   C1y C    27.1600  -20.5100
            4   C8y C    24.9200  -19.2500
            5   C1x C    26.3200  -18.1300
            6   C1z C    29.4000  -19.2500
            7   N1y N    28.2800  -17.2200
            8   C1z C    28.2800  -21.2100
            9   N1y N    26.0400  -21.2100
            10  C8y C    24.9200  -20.5100
            11  C8x C    23.8000  -18.5500
            12  C1x C    26.9500  -17.2200
            13  C1y C    29.4000  -20.5100
            14  C2x C    30.5900  -18.5500
            15  C1b C    30.5200  -19.8800
            16  C1x C    29.4000  -16.5900
            17  C7a C    29.1900  -22.3300
            18  O1a O    27.7900  -23.1000
            19  C4a C    25.4100  -22.2600
            20  C8x C    23.8000  -21.2100
            21  C8y C    22.6800  -19.2500
            22  O7a O    31.8500  -21.4200
            23  C2x C    30.5900  -17.2200
            24  C1a C    31.6400  -19.2500
            25  O7a O    29.1900  -23.6600
            26  C8y C    22.6800  -20.5100
            27  C1z C    20.1600  -16.8700
            28  C7a C    33.1800  -21.4200
            29  C1a C    28.0000  -24.3600
            30  O2a O    21.5600  -21.1400
            31  C8y C    19.0400  -16.1000
            32  C1x C    21.4200  -16.1000
            33  C7a C    19.8100  -18.1300
            34  C1a C    33.8100  -20.3000
            35  O6a O    33.8100  -22.5400
            36  C1a C    20.4400  -20.5100
            37  C8y C    19.0400  -14.7700
            38  N4x N    17.9200  -16.7300
            39  C1y C    21.4200  -14.8400
            40  O7a O    18.3400  -18.6200
            41  O6a O    20.6500  -19.1800
            42  C8y C    16.7300  -14.7700
            43  C1x C    18.3400  -13.6500
            44  C8y C    16.7300  -16.1000
            45  C1x C    20.3000  -14.2100
            46  C1x C    22.6100  -14.0000
            47  C1a C    17.5000  -20.0200
            48  C8x C    15.6100  -14.0700
            49  C1x C    19.1100  -12.6700
            50  C8x C    15.6100  -16.7300
            51  N1y N    20.3000  -12.9500
            52  C1z C    22.5400  -12.8800
            53  C8x C    14.4900  -14.7700
            54  C8x C    14.4900  -16.1000
            55  C1x C    21.4200  -12.1800
            56  C1b C    24.0800  -13.3700
            57  O1a O    23.3800  -11.5500
            58  C1a C    25.1300  -12.7400
            59  O6a O    30.5200  -21.8400
            60  O4a O    24.0100  -22.2600
BOND        68
            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   22  28 1
            28   25  29 1
            29   26  30 1
            30   27  31 1
            31   27  32 1
            32   27  33 1 #Up
            33   28  34 1
            34   28  35 2
            35   30  36 1
            36   31  37 2
            37   31  38 1
            38   32  39 1
            39   33  40 1
            40   33  41 2
            41   37  42 1
            42   37  43 1
            43   38  44 1
            44   39  45 1 #Down
            45   39  46 1
            46   40  47 1
            47   42  48 1
            48   43  49 1
            49   44  50 1
            50   51  45 1 #Down
            51   46  52 1
            52   48  53 2
            53   50  54 2
            54   51  55 1
            55   52  56 1 #Down
            56   52  57 1 #Up
            57   56  58 1
            58    7  12 1
            59    8  13 1
            60    9  10 1
            61   16  23 1
            62   21  26 1
            63   42  44 2
            64   49  51 1
            65   52  55 1
            66   53  54 1
            67   17  59 2
            68   19  60 2

» Japanese version   » Back

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