KEGG   DRUG: Mitoxantrone hydrochlorideHelp
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 search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01727  Anthraquinone antineoplastic
Other
 DG01529  Topoisomerase inhibitor
  DG01527  Topoisomerase II inhibitor
Transporter substrate
 DG01913  ABCG2 substrate
Unclassified
 DG02861  ABCC2 (MRP2) substrate
Remark
Therapeutic category: 4291
ATC code: L01DB07
Chemical structure group: DG00701
Product (DG00701): D02166<JP/US>
Efficacy
Antineoplastic, Topoisomerase II inhibitor
  Disease
Multiple sclerosis [DS:H01490]
Acute leukemia [DS:H00003 H00001 H00002]
Target
TOP2 [HSA:7153 7155] [KO:K03164]
Metabolism
Transporter: ABCG2 [HSA:9429], ABCC2 [HSA:1244]
Interaction
Drug interaction
Structure map
map07042  Antineoplastics - agents from natural products
Other map
map04976  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) <JP/US>
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 (EC5)
   DNA topoisomerase
    TOP2
     D02166  Mitoxantrone hydrochloride (JAN/USP) <JP/US>
Antineoplastics [br08340.html]
 D02166
BRITE hierarchy
Other DBs
CAS: 70476-82-3
PubChem: 7849227
ChEBI: 50727
ChEMBL: CHEMBL1417019
DrugBank: DB01204
LigandBox: D02166
NIKKAJI: J245.513G
LinkDB All DBs
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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