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
Enzyme substrate
 DG01633  CYP3A substrate
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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