KEGG   DRUG: Daunorubicin citrate
Entry
D10787                      Drug                                   

Name
Daunorubicin citrate;
Daunoxome (TN)
Formula
C27H29NO10. C6H8O7
Exact mass
719.2061
Mol weight
719.6434
Structure
Class
Antineoplastic
 DG01682  Anthracycline antineoplastic
Other
 DG01529  Topoisomerase inhibitor
  DG01527  Topoisomerase II inhibitor
Remark
ATC code: L01DB02
Chemical structure group: DG00697
Product (DG00697): D01264<JP/US>
Efficacy
Antineoplastic, Topoisomerase II inhibitor
Comment
Treatment of advanced HIV-associated Kaposi's sarcoma
Target
TOP2 [HSA:7153 7155] [KO:K03164]
Interaction
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
     L01DB02 Daunorubicin
      D10787  Daunorubicin citrate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D10787  Daunorubicin citrate
Other DBs
CAS: 371770-68-2
PubChem: 313046645
ChEMBL: CHEMBL1200475
LinkDB
KCF data

ATOM        51
            1   C8x C    11.9537  -13.3518
            2   C8x C    11.9537  -14.7499
            3   C8y C    13.1421  -15.4489
            4   C8y C    14.4003  -14.7499
            5   C8y C    14.4003  -13.3518
            6   C8x C    13.1421  -12.6527
            7   C5x C    15.5887  -15.4489
            8   C8y C    16.7771  -14.7499
            9   C8y C    16.7771  -13.3518
            10  C5x C    15.5887  -12.6527
            11  C8y C    18.0354  -15.4489
            12  C8y C    19.2238  -14.7499
            13  C8y C    19.2238  -13.3518
            14  C8y C    18.0354  -12.6527
            15  C1y C    20.4121  -15.4489
            16  C1x C    21.6704  -14.7499
            17  C1z C    21.6704  -13.3518
            18  C1x C    20.4121  -12.6527
            19  O2a O    13.1421  -16.8470
            20  C1a C    11.9537  -17.5461
            21  O5x O    15.5887  -16.8470
            22  O5x O    15.5887  -11.2546
            23  O1a O    18.0354  -11.2546
            24  O1a O    18.0354  -16.8470
            25  O2a O    20.4121  -16.8470
            26  C1y C    21.6005  -17.5461
            27  C5a C    22.8588  -12.6527
            28  C1a C    24.0472  -13.3518
            29  O5a O    22.8588  -11.2546
            30  O1a O    22.8588  -14.2605
            31  C1x C    21.6005  -18.9441
            32  C1y C    22.8588  -19.6432
            33  C1y C    24.0472  -18.9441
            34  C1y C    24.0472  -17.5461
            35  O2x O    22.8588  -16.8470
            36  N1a N    22.8588  -21.0413
            37  C1a C    25.2356  -16.8470
            38  O1a O    25.2356  -19.6432
            39  C6a C    30.2648  -16.0461
            40  C1b C    31.4561  -16.7469
            41  O6a O    29.0035  -16.7469
            42  O6a O    30.2648  -14.6446
            43  C1d C    32.6473  -16.0461
            44  C1b C    33.8386  -16.7469
            45  C6a C    33.8386  -18.1483
            46  O6a O    32.5772  -18.9191
            47  O6a O    35.0298  -18.8491
            48  C6a C    33.3480  -14.8549
            49  O6a O    32.6473  -13.6636
            50  O6a O    34.7495  -14.8549
            51  O1a O    31.9466  -14.8549
BOND        54
            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    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   12  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   13  18 1
            22    3  19 1
            23   19  20 1
            24    7  21 2
            25   10  22 2
            26   14  23 1
            27   11  24 1
            28   26  25 1 #Down
            29   15  25 1 #Down
            30   17  27 1 #Up
            31   27  28 1
            32   27  29 2
            33   17  30 1 #Down
            34   26  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   26  35 1
            40   32  36 1 #Up
            41   34  37 1 #Up
            42   33  38 1 #Up
            43   39  40 1
            44   39  41 1
            45   39  42 2
            46   40  43 1
            47   43  44 1
            48   44  45 1
            49   45  46 2
            50   45  47 1
            51   43  48 1
            52   48  49 1
            53   48  50 2
            54   43  51 1

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