KEGG   DRUG: TeniposideHelp
Entry
D02698                      Drug                                   

Name
Teniposide (USAN/INN);
Vumon (TN)
Product
Formula
C32H32O13S
Exact mass
656.1564
Mol weight
656.6537
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01529  Topoisomerase inhibitor
  DG01527  Topoisomerase II inhibitor
Remark
Same as: C11153
ATC code: L01CB02
Product: D02698<US>
Efficacy
Antineoplastic, Topoisomerase II inhibitor
  Disease
Acute lymphoblastic leukemia [DS:H00001 H00002]
Comment
Podophyllotoxin [DR:D05529] derivative
Target
TOP2 [HSA:7153 7155] [KO:K03164]
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
    L01CB Podophyllotoxin derivatives
     L01CB02 Teniposide
      D02698  Teniposide (USAN/INN) <US>
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D02698  Teniposide (USAN/INN) <US>
Antineoplastics [br08340.html]
 D02698
BRITE hierarchy
Other DBs
CAS: 29767-20-2
PubChem: 17396865
ChEBI: 75988
ChEMBL: CHEMBL452231
DrugBank: DB00444
PDB-CCD: 9TP[PDBj]
LigandBox: D02698
NIKKAJI: J4.519E
LinkDB All DBs
KCF data Show

ATOM        46
            1   O2a O    27.5800  -17.1500
            2   C8x C    25.1300  -21.3500
            3   C8x C    25.1300  -18.5500
            4   C8y C    23.9400  -20.6500
            5   C8y C    23.9400  -19.2500
            6   O2x O    22.6100  -18.8300
            7   C1x C    21.7700  -19.9500
            8   O2x O    22.6100  -21.0700
            9   C8y C    26.3200  -19.2500
            10  C8y C    26.3200  -20.6500
            11  C1y C    27.5100  -21.3500
            12  C1y C    27.5800  -18.5500
            13  C1y C    28.7700  -19.2500
            14  C1y C    28.7700  -20.6500
            15  O7x O    30.9400  -19.9500
            16  O6a O    30.5200  -22.4700
            17  C1x C    30.1000  -18.8300
            18  C7x C    30.1000  -21.1400
            19  C8y C    27.5100  -22.7500
            20  C8x C    26.3200  -23.4500
            21  C8y C    26.3200  -24.7800
            22  C8y C    27.5100  -25.5500
            23  C8y C    28.7000  -24.8500
            24  C8x C    28.7700  -23.4500
            25  O2a O    29.9600  -25.5500
            26  O2a O    25.1300  -25.4800
            27  C1a C    31.1500  -24.8500
            28  C1a C    23.9400  -24.7800
            29  O1a O    27.5100  -26.8800
            30  C1y C    25.0600  -14.2800
            31  C1y C    26.2500  -14.9100
            32  C1y C    26.2500  -16.3100
            33  O2x O    25.0600  -17.0100
            34  O1a O    25.0600  -12.8800
            35  O1a O    27.4400  -14.2100
            36  C1y C    23.8000  -14.9800
            37  C1y C    23.8000  -16.3800
            38  C1x C    22.6100  -17.0800
            39  O2x O    21.4200  -16.3800
            40  C1y C    21.4200  -14.9800
            41  O2x O    22.6100  -14.2800
            42  C8y C    20.2300  -14.2800
            43  S2x S    18.9700  -14.9100
            44  C8x C    17.9900  -13.8600
            45  C8x C    18.6900  -12.6700
            46  C8x C    20.0900  -12.9500
BOND        53
            1    15  17 1
            2    18  16 2
            3    12   1 1 #Up
            4    13  17 1
            5    14  18 1
            6    11  19 1 #Down
            7     4   2 2
            8     2  10 1
            9     9   3 1
            10    3   5 2
            11   19  20 2
            12   20  21 1
            13   21  22 2
            14   22  23 1
            15   23  24 2
            16   24  19 1
            17   23  25 1
            18   21  26 1
            19   25  27 1
            20   26  28 1
            21    4   5 1
            22   22  29 1
            23    5   6 1
            24    6   7 1
            25    7   8 1
            26    8   4 1
            27    9  10 2
            28   10  11 1
            29   11  14 1
            30   13  12 1
            31   12   9 1
            32   13  14 1
            33   18  15 1
            34   31  35 1 #Up
            35   40  42 1
            36   30  31 1
            37   31  32 1
            38   32  33 1
            39   33  37 1
            40   30  34 1 #Down
            41   36  30 1
            42   36  37 1
            43   37  38 1
            44   38  39 1
            45   39  40 1
            46   43  44 1
            47   40  41 1
            48   41  36 1
            49   42  43 1
            50   44  45 2
            51   45  46 1
            52   46  42 2
            53    1  32 1 #Down

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