KEGG   DRUG: Aclarubicin hydrochlorideHelp
Entry
D01911                      Drug                                   

Name
Aclarubicin hydrochloride (JP17);
Aclacinon (TN)
Formula
C42H53NO15. HCl
Exact mass
847.3182
Mol weight
848.3289
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Source
Streptomyces galilaeus [TAX:33899]
Class
Antineoplastic
 DG01682  Anthracycline antineoplastic
Other
 DG01529  Topoisomerase inhibitor
  DG01526  Topoisomerase I inhibitor
  DG01527  Topoisomerase II inhibitor
Remark
Therapeutic category: 4235
ATC code: L01DB04
Chemical structure group: DG00699
Product (DG00699): D01911<JP>
Efficacy
Antineoplastic, Topoisomerase inhibitor
Target
TOP1 [HSA:7150] [KO:K03163]
TOP2 [HSA:7153 7155] [KO:K03164]
Interaction
Drug interaction
Structure map
map07042  Antineoplastics - agents from natural products
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
     L01DB04 Aclarubicin
      D01911  Aclarubicin hydrochloride (JP17) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   423  Antibiotics
    4235  Anthracycline antibiotics
     D01911  Aclarubicin hydrochloride (JP17)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP1
     D01911  Aclarubicin hydrochloride (JP17) <JP>
    TOP2
     D01911  Aclarubicin hydrochloride (JP17) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01911  Aclarubicin hydrochloride
Antineoplastics [br08340.html]
 D01911
BRITE hierarchy
Other DBs
CAS: 75443-99-1
PubChem: 7848973
ChEBI: 31171
ChEMBL: CHEMBL1697719 CHEMBL2374637
LigandBox: D01911
NIKKAJI: J327.418G
LinkDB All DBs
KCF data Show

ATOM        59
            1   C1y C    39.7600  -22.5400
            2   C1x C    39.7600  -23.9400
            3   C1x C    40.9500  -24.6400
            4   C5x C    42.2100  -23.8700
            5   C1y C    42.2100  -22.4700
            6   O2x O    40.9500  -21.8400
            7   C1a C    43.3300  -21.7700
            8   C1y C    35.0700  -19.9500
            9   O2x O    36.2600  -19.2500
            10  C1y C    37.4500  -19.9500
            11  C1y C    37.4500  -21.3500
            12  C1y C    36.2600  -22.0500
            13  C1x C    35.0700  -21.3500
            14  O1a O    36.2600  -23.4500
            15  O2a O    38.6400  -22.0500
            16  C1a C    38.6400  -19.2500
            17  O2a O    28.7700  -16.3800
            18  C1y C    30.1700  -17.3600
            19  C1x C    30.1700  -18.6900
            20  O2x O    31.3600  -16.6600
            21  C1y C    31.3600  -19.3900
            22  C1y C    32.5500  -17.2900
            23  C1y C    32.5500  -18.6900
            24  N1c N    31.3600  -20.7200
            25  C1a C    33.6700  -16.6600
            26  O2a O    33.6700  -19.3200
            27  C1z C    30.0300  -12.4600
            28  O1a O    31.1500  -13.6500
            29  C1b C    31.1500  -11.8300
            30  C8x C    26.4600  -11.7600
            31  C8x C    20.4400  -12.4600
            32  C8x C    21.7000  -11.7600
            33  C8y C    22.8900  -12.4600
            34  C5x C    24.0800  -11.7600
            35  C8y C    25.2700  -12.4600
            36  C8x C    20.4400  -14.0700
            37  C8y C    27.6500  -12.4600
            38  C1y C    28.8400  -11.8300
            39  C8y C    21.7000  -14.7000
            40  C8y C    22.8900  -14.0700
            41  C5x C    24.0100  -14.7000
            42  C8y C    25.2700  -14.0700
            43  C8y C    26.3900  -14.7700
            44  C8y C    27.6500  -14.0700
            45  C1y C    28.7700  -14.7700
            46  C1x C    30.0300  -14.0700
            47  O1a O    21.7000  -16.1000
            48  O5x O    24.0100  -16.1000
            49  O1a O    26.3900  -16.1000
            50  O5x O    24.0800  -10.4300
            51  C7a C    28.8400  -10.4300
            52  O6a O    27.6500   -9.8000
            53  O7a O    29.9600   -9.8000
            54  O5x O    43.4000  -24.5700
            55  C1a C    32.6200  -21.4200
            56  C1a C    30.1700  -21.4200
            57  C1a C    32.3545  -12.5435
            58  C1a C    31.1645  -10.5135
            59  X   Cl   35.9100  -13.1600
BOND        64
            1    12  14 1 #Up
            2    11  15 1 #Up
            3     5   7 1 #Up
            4    10  16 1 #Up
            5     1  15 1 #Down
            6     1   2 1
            7     2   3 1
            8     3   4 1
            9     4   5 1
            10    5   6 1
            11    8   9 1
            12    9  10 1
            13   10  11 1
            14   11  12 1
            15   18  19 1
            16   18  20 1
            17   19  21 1
            18   20  22 1
            19   21  23 1
            20   21  24 1 #Up
            21   22  25 1 #Up
            22   23  26 1 #Up
            23   22  23 1
            24   18  17 1 #Down
            25   31  36 1
            26   30  37 2
            27   37  38 1
            28   38  27 1
            29   27  28 1 #Down
            30   36  39 2
            31   39  40 1
            32   27  29 1 #Up
            33   40  41 1
            34   41  42 1
            35   42  43 1
            36   43  44 2
            37   44  45 1
            38   45  46 1
            39   31  32 2
            40   39  47 1
            41   41  48 2
            42   32  33 1
            43   43  49 1
            44   33  40 2
            45   35  42 2
            46   37  44 1
            47   34  50 2
            48   27  46 1
            49   33  34 1
            50   38  51 1 #Up
            51   51  52 2
            52   34  35 1
            53   51  53 1
            54   35  30 1
            55   45  17 1 #Down
            56    8  26 1 #Down
            57    4  54 2
            58   12  13 1
            59   24  55 1
            60   13   8 1
            61   24  56 1
            62    6   1 1
            63   29  57 1
            64   53  58 1

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