KEGG   DRUG: MitoxantroneHelp
Entry
D08224                      Drug                                   

Name
Mitoxantrone (INN);
Misostol (TN)
Formula
C22H28N4O6
Exact mass
444.2009
Mol weight
444.4809
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Antineoplastic
 DG01727  Anthraquinone antineoplastic
Other
 DG01529  Topoisomerase inhibitor
  DG01527  Topoisomerase II inhibitor
Transporter substrate
 DG01913  BCRP substrate
Remark
Same as: 
ATC code: 
Chemical group: 
Activity
Antineoplastic, Topoisomerase II inhibitor
Comment
anthraquinone derivative
Target
TOP2 [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
      D08224  Mitoxantrone (INN)
USP drug classification [BR:br08302]
 Central Nervous System Agents
  Multiple Sclerosis Agents
   Mitoxantrone
    D08224  Mitoxantrone (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases
   topoisomerase II
    Mitoxantrone
     D08224  Mitoxantrone (INN)
Cytochrome P450 interactions [BR:br08309]
 Transporter substrates
  ABCC2
   Mitoxantrone
    D08224  Mitoxantrone (INN)
  ABCG2
   Mitoxantrone
    D08224  Mitoxantrone (INN)
BRITE hierarchy
Other DBs
CAS: 
65271-80-9
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        32
            1   C8x C    19.0400  -21.4200
            2   C8x C    19.0400  -22.8200
            3   C8y C    20.2524  -23.5200
            4   C8y C    21.4649  -22.8200
            5   C8y C    21.4649  -21.4200
            6   C8y C    20.2524  -20.7200
            7   C5x C    22.6773  -23.5200
            8   C8y C    23.8897  -22.8200
            9   C8y C    23.8897  -21.4200
            10  C5x C    22.6773  -20.7200
            11  C8y C    25.1022  -23.5200
            12  C8x C    26.3146  -22.8200
            13  C8x C    26.3146  -21.4200
            14  C8y C    25.1022  -20.7200
            15  N1b N    25.1022  -24.9197
            16  N1b N    25.1022  -19.3203
            17  O5x O    22.6773  -19.3200
            18  O5x O    22.6773  -24.9200
            19  O1a O    20.2524  -24.9198
            20  O1a O    20.2524  -19.3202
            21  C1b C    26.3354  -18.6080
            22  C1b C    27.5415  -19.3041
            23  N1b N    28.7233  -18.6216
            24  C1b C    29.9176  -19.3110
            25  C1b C    31.1054  -18.6251
            26  O1a O    32.2966  -19.3128
            27  C1b C    26.3354  -25.6320
            28  C1b C    27.5415  -24.9359
            29  N1b N    28.7233  -25.6184
            30  C1b C    29.9176  -24.9290
            31  C1b C    31.1054  -25.6149
            32  O1a O    32.2966  -24.9272
BOND        34
            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 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   11  15 1
            18   14  16 1
            19   10  17 2
            20    7  18 2
            21    3  19 1
            22    6  20 1
            23   16  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   15  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   31  32 1

» Japanese version   » Back

DBGET integrated database retrieval system