KEGG   DRUG: Aldoxorubicin Hydrochloride
Entry
D10384                      Drug                                   

Name
Aldoxorubicin Hydrochloride (USAN)
Formula
C37H42N4O13. HCl
Exact mass
786.2515
Mol weight
787.2093
Structure
Simcomp
Class
Antineoplastic
 DG01682  Anthracycline antineoplastic
Remark
Chemical structure group: DG01726
Efficacy
Antineoplastic, Topoisomerase II inhibitor
Target
TOP2 [HSA:7153 7155] [KO:K03164]
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D10384  Aldoxorubicin Hydrochloride (USAN)
Other DBs
CAS: 1361563-03-2
PubChem: 172232477
ChEMBL: CHEMBL2107827
LinkDB
KCF data

ATOM        55
            1   C8x C    16.1000  -18.9700
            2   C8x C    16.1000  -20.3700
            3   C8y C    17.2900  -21.0700
            4   C8y C    18.5500  -20.3700
            5   C8y C    18.5500  -18.9700
            6   C8x C    17.2900  -18.2700
            7   C5x C    19.7400  -21.0700
            8   C8y C    20.9300  -20.3700
            9   C8y C    20.9300  -18.9700
            10  C5x C    19.7400  -18.2700
            11  C8y C    22.1900  -21.0700
            12  C8y C    23.3800  -20.3700
            13  C8y C    23.3800  -18.9700
            14  C8y C    22.1900  -18.2700
            15  C1y C    24.5700  -21.0700
            16  C1x C    25.8300  -20.3700
            17  C1z C    25.8300  -18.9700
            18  C1x C    24.5700  -18.2700
            19  O2a O    17.2900  -22.4700
            20  O5x O    19.7400  -22.4700
            21  O5x O    19.7400  -16.8700
            22  O1a O    22.1900  -16.8700
            23  O1a O    22.1900  -22.4700
            24  O2a O    24.5700  -22.4000
            25  C2c C    27.0200  -18.2700
            26  C1b C    28.2100  -18.9700
            27  O1a O    29.4000  -18.2700
            28  N2b N    27.0200  -16.8700
            29  N1b N    28.2100  -16.1700
            30  C5a C    28.2100  -14.7700
            31  O5a O    27.0200  -14.0700
            32  C1b C    29.4000  -14.0700
            33  C1b C    30.5900  -14.7700
            34  C1b C    31.7800  -14.0700
            35  C1b C    32.9700  -14.7700
            36  C1b C    34.1600  -14.0700
            37  N1y N    35.3500  -14.7700
            38  C5x C    35.4900  -16.1700
            39  C2x C    36.8900  -16.4500
            40  C2x C    37.5900  -15.2600
            41  C5x C    36.6800  -14.2100
            42  O5x O    36.9600  -12.8100
            43  O5x O    34.4400  -17.1500
            44  C1a C    16.1000  -23.1700
            45  O1a O    27.0200  -19.6700
            46  C1y C    25.9700  -23.1700
            47  C1x C    25.9700  -24.5700
            48  C1y C    27.2300  -25.2700
            49  C1y C    28.4200  -24.5700
            50  C1y C    28.4200  -23.1700
            51  O2x O    27.2300  -22.4700
            52  N1a N    27.2300  -26.6700
            53  C1a C    29.6100  -22.4700
            54  O1a O    29.6100  -25.2700
            55  X   Cl   36.6800  -20.5800
BOND        59
            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    7  20 2
            24   10  21 2
            25   14  22 1
            26   11  23 1
            27   15  24 1 #Down
            28   17  25 1 #Up
            29   25  26 1
            30   26  27 1
            31   25  28 2
            32   28  29 1
            33   29  30 1
            34   30  31 2
            35   30  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   39  40 2
            44   40  41 1
            45   37  41 1
            46   41  42 2
            47   38  43 2
            48   19  44 1
            49   17  45 1 #Down
            50   46  47 1
            51   47  48 1
            52   48  49 1
            53   49  50 1
            54   50  51 1
            55   46  51 1
            56   48  52 1 #Up
            57   50  53 1 #Up
            58   49  54 1 #Up
            59   46  24 1 #Down

» Japanese version   » Back

DBGET integrated database retrieval system