KEGG   DRUG: D02166Help
Entry
D02166                      Drug                                   

Name
Mitoxantrone hydrochloride (JAN/USP);
Novantron (TN)
Product
  Generic
Formula
C22H28N4O6. 2HCl
Exact mass
516.1542
Mol weight
517.4028
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic [DS:H00031 H00048]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Comment
anthraquinone derivative
Target
topoisomerase II inhibitor [HSA:7153 7155] [KO:K03164]
Metabolism
Transporter: ABCG2 [HSA:9429], ABCC2 [HSA:1244]
Interaction
Drug interaction
Structure map
Antineoplastics - agents from natural products
Other map
Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01D CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
    L01DB Anthracyclines and related substances
     L01DB07 Mitoxantrone
      D02166  Mitoxantrone hydrochloride (JAN/USP)
USP drug classification [BR:br08302]
 Antineoplastics
  Antineoplastics, Other
   Mitoxantrone
    D02166  Mitoxantrone hydrochloride (JAN/USP)
 Central Nervous System Agents
  Multiple Sclerosis Agents
   Mitoxantrone
    D02166  Mitoxantrone hydrochloride (JAN/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D02166  Mitoxantrone hydrochloride (JAN/USP)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases
   topoisomerase II
    Mitoxantrone
     D02166  Mitoxantrone hydrochloride (JAN/USP)
Antineoplastics [BR:br08308]
 Natural products
  Antibiotics
   Mitoxantrone
    D02166  Mitoxantrone hydrochloride (JAN/USP)
Phytochemicals used as drugs [BR:br08306]
 Polyketides
  Quinones
   Anthraquinones
    Anthraquinone type
     D02166  Mitoxantrone hydrochloride (JAN/USP)
BRITE hierarchy
Other DBs
CAS: 
70476-82-3
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        34
            1   C8x C    14.8029  -16.3363
            2   C8x C    14.8029  -17.7373
            3   C8y C    16.0202  -18.4414
            4   C8y C    16.0202  -15.6392
            5   C8y C    17.2304  -16.3363
            6   C8y C    17.2245  -17.7373
            7   C5x C    18.4357  -18.4465
            8   C5x C    18.4475  -15.6443
            9   C8y C    19.6519  -16.3466
            10  C8y C    19.6393  -17.7439
            11  C8y C    20.8442  -18.4571
            12  C8x C    22.0618  -17.7657
            13  C8x C    22.0743  -16.3684
            14  C8y C    20.8693  -15.6622
            15  O1a O    16.0068  -14.2381
            16  O5x O    18.5059  -14.2381
            17  N1b N    20.8580  -14.2592
            18  O1a O    16.0068  -19.8426
            19  O5x O    18.4219  -19.8426
            20  N1b N    20.8369  -19.8566
            21  C1b C    22.0691  -13.5480
            22  C1b C    23.2800  -14.2521
            23  N1b N    24.4910  -13.5409
            24  C1b C    25.7021  -14.2450
            25  C1b C    26.9130  -13.5339
            26  O1a O    28.1241  -14.2381
            27  C1b C    22.0480  -20.5536
            28  C1b C    23.2589  -19.8495
            29  N1b N    24.4699  -20.5465
            30  C1b C    25.6810  -19.8426
            31  C1b C    26.8919  -20.5396
            32  O1a O    28.1030  -19.8355
            33  X   Cl   31.9160  -17.2232
            34  X   Cl   31.9160  -17.2232
BOND        34
            1     4  15 1
            2     6   7 1
            3     8  16 2
            4     7  10 1
            5    14  17 1
            6     9   8 1
            7     3  18 1
            8     8   5 1
            9     7  19 2
            10    5   4 2
            11   11  20 1
            12    4   1 1
            13   17  21 1
            14   21  22 1
            15    1   2 2
            16   22  23 1
            17    2   3 1
            18   23  24 1
            19    3   6 2
            20   24  25 1
            21    9  10 2
            22   25  26 1
            23   10  11 1
            24   20  27 1
            25   11  12 2
            26   27  28 1
            27   12  13 1
            28   28  29 1
            29   13  14 2
            30   29  30 1
            31   14   9 1
            32   30  31 1
            33    5   6 1
            34   31  32 1
BRACKET     1    30.5900  -18.1300   30.5900  -16.3100
            1    32.8300  -16.3100   32.8300  -18.1300
            1  2
 ORIGINAL  1   33
 REPEAT    1   34

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