KEGG   DRUG: Zorubicin hydrochloride
Entry
D06386                      Drug                                   
Name
Zorubicin hydrochloride (USAN)
Formula
C34H35N3O10. HCl
Exact mass
681.2089
Mol weight
682.1167
Structure
Simcomp
Class
Antineoplastic
 DG01682  Anthracycline antineoplastic
Remark
ATC code: L01DB05
Efficacy
Antineoplastic, Topoisomerase II inhibitor
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
     L01DB05 Zorubicin
      D06386  Zorubicin hydrochloride (USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01682  Anthracycline antineoplastic
   D06386  Zorubicin hydrochloride
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D06386  Zorubicin hydrochloride (USAN)
Other DBs
CAS: 36508-71-1
PubChem: 47208043
LigandBox: D06386
NIKKAJI: J369.224H
LinkDB
KCF data

ATOM        48
            1   X   Cl   26.7400  -25.6900
            2   C1y C    18.6900  -24.0800
            3   O2x O    19.8800  -23.3800
            4   C1y C    21.0700  -24.0800
            5   C1y C    21.0700  -25.4800
            6   C1y C    19.8800  -26.1800
            7   C1x C    18.6900  -25.4800
            8   C8x C     9.0300  -21.2800
            9   C8x C     9.0300  -19.8800
            10  C8x C    10.2200  -19.1800
            11  C8y C    11.4100  -19.8800
            12  C8y C    11.4100  -21.2800
            13  C8y C    10.2200  -21.9800
            14  C5x C    12.6700  -19.1800
            15  C8y C    13.8600  -19.8800
            16  C8y C    13.8600  -21.2800
            17  C5x C    12.6700  -21.9800
            18  C8y C    15.0500  -19.1800
            19  C8y C    16.3100  -19.8800
            20  C8y C    16.3100  -21.2800
            21  C8y C    15.0500  -21.9800
            22  C1x C    17.5000  -19.1800
            23  C1z C    18.6900  -19.8800
            24  C1x C    18.6900  -21.2800
            25  C1y C    17.5000  -21.9800
            26  O2a O    10.2200  -23.3800
            27  C1a C     9.0300  -24.0800
            28  O5x O    12.6700  -23.3800
            29  O5x O    12.6700  -17.7800
            30  O1a O    15.0500  -17.7800
            31  O1a O    15.0500  -23.3800
            32  O2a O    17.5000  -23.3800
            33  C2c C    19.9500  -19.1800
            34  N2b N    21.1400  -19.8800
            35  C1a C    19.9500  -17.7800
            36  N1b N    22.3300  -19.1800
            37  C5a C    23.5200  -19.8800
            38  C8y C    24.7100  -19.1800
            39  O5a O    23.5200  -21.2800
            40  C8x C    24.7100  -17.7800
            41  C8x C    25.9000  -17.0800
            42  C8x C    27.1600  -17.7800
            43  C8x C    27.1600  -19.1800
            44  C8x C    25.9000  -19.8800
            45  N1a N    19.8800  -27.5800
            46  O1a O    22.3300  -26.1800
            47  C1a C    22.3300  -23.3800
            48  O1a O    19.8966  -20.5900
BOND        52
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     2   7 1
            7     8   9 2
            8     9  10 1
            9    10  11 2
            10   11  12 1
            11   12  13 2
            12    8  13 1
            13   11  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   12  17 1
            18   15  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   16  21 2
            23   19  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   20  25 1
            28   13  26 1
            29   26  27 1
            30   17  28 2
            31   14  29 2
            32   18  30 1
            33   21  31 1
            34   25  32 1 #Down
            35   23  33 1
            36   33  34 2
            37   33  35 1
            38   34  36 1
            39   36  37 1
            40   37  38 1
            41   37  39 2
            42   38  40 2
            43   40  41 1
            44   41  42 2
            45   42  43 1
            46   43  44 2
            47   38  44 1
            48    2  32 1 #Down
            49    6  45 1 #Up
            50    5  46 1 #Up
            51    4  47 1 #Up
            52   23  48 1 #Down

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