KEGG   DRUG: Etoposide phosphateHelp
Entry
D04107                      Drug                                   

Name
Etoposide phosphate (USAN);
Etopophos preservative free (TN)
Product
Formula
C29H33O16P
Exact mass
668.1506
Mol weight
668.5365
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01529  Topoisomerase inhibitor
  DG01527  Topoisomerase II inhibitor
Remark
ATC code: L01CB01
Chemical structure group: DG00693
Product (DG00693): D00125<JP/US> D04107<US>
Efficacy
Antineoplastic, Topoisomerase II inhibitor
  Disease
Testicular tumors [DS:H00023]
Small cell lung cancer [DS:H00013]
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
     L01CB01 Etoposide
      D04107  Etoposide phosphate (USAN) <US>
USP drug classification [BR:br08302]
 Antineoplastics
  Enzyme Inhibitors
   Etoposide
    D04107  Etoposide phosphate (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D04107  Etoposide phosphate (USAN) <US>
Antineoplastics [br08340.html]
 D04107
BRITE hierarchy
Other DBs
CAS: 117091-64-2
PubChem: 47206058
ChEMBL: CHEMBL1200645 CHEMBL2358914
DrugBank: DB00773
LigandBox: D04107
LinkDB All DBs
KCF data Show

ATOM        46
            1   C8y C    27.7376  -18.0842
            2   C8y C    27.7376  -19.4861
            3   C8x C    28.9516  -20.1870
            4   C8y C    30.1657  -19.4861
            5   C8y C    30.1657  -18.0842
            6   C8x C    28.9516  -17.3833
            7   C1y C    31.3797  -20.1870
            8   C1y C    32.5937  -19.4861
            9   C1y C    32.5937  -18.0842
            10  C1y C    31.3797  -17.3833
            11  O2x O    26.4042  -17.6511
            12  C1x C    25.5803  -18.7851
            13  O2x O    26.4042  -19.9193
            14  C7x C    33.9269  -19.9193
            15  O7x O    34.7510  -18.7851
            16  C1x C    33.9269  -17.6511
            17  O6a O    34.3542  -21.2348
            18  C8y C    31.3797  -21.5888
            19  C8x C    30.1677  -22.2886
            20  C8y C    30.1677  -23.6904
            21  C8y C    31.3817  -24.3914
            22  C8y C    32.5937  -23.6916
            23  C8x C    32.5937  -22.2898
            24  O2a O    28.9706  -24.3818
            25  O2a O    33.7929  -24.3841
            26  C1a C    34.9828  -23.6971
            27  C1a C    27.7827  -23.6960
            28  O2b O    31.3817  -25.7944
            29  O2a O    31.3797  -15.9814
            30  C1y C    30.1677  -15.2817
            31  C1y C    30.1677  -13.8788
            32  C1y C    28.9536  -13.1779
            33  C1y C    27.7396  -13.8788
            34  C1y C    27.7396  -15.2817
            35  O2x O    28.9537  -15.9826
            36  O2x O    26.5255  -13.1779
            37  C1y C    25.3114  -13.8788
            38  O2x O    25.3114  -15.2817
            39  C1x C    26.5255  -15.9826
            40  O1a O    28.9536  -11.7760
            41  C1a C    24.0771  -13.1660
            42  O1a O    31.3990  -13.1677
            43  P1b P    32.5725  -26.4816
            44  O1c O    33.7854  -27.1819
            45  O1c O    33.2751  -25.2645
            46  O1c O    31.8749  -27.6900
BOND        52
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    1  11 1
            13   11  12 1
            14   12  13 1
            15    2  13 1
            16    8  14 1
            17   14  15 1
            18   15  16 1
            19    9  16 1
            20   14  17 2
            21    7  18 1 #Down
            22   18  19 2
            23   19  20 1
            24   20  21 2
            25   21  22 1
            26   22  23 2
            27   18  23 1
            28   20  24 1
            29   22  25 1
            30   25  26 1
            31   24  27 1
            32   21  28 1
            33   10  29 1 #Up
            34   30  29 1 #Down
            35   30  31 1
            36   31  32 1
            37   32  33 1
            38   33  34 1
            39   34  35 1
            40   30  35 1
            41   33  36 1
            42   36  37 1
            43   37  38 1
            44   38  39 1
            45   34  39 1
            46   32  40 1 #Down
            47   37  41 1 #Up
            48   31  42 1 #Up
            49   28  43 1
            50   43  44 1
            51   43  45 2
            52   43  46 1

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