KEGG   DRUG: Topixantrone
Entry
D06190                      Drug                                   

Name
Topixantrone (USAN/INN)
Formula
C21H26N6O2
Exact mass
394.2117
Mol weight
394.4701
Structure
Class
Antineoplastic
 DG01727  Anthraquinone antineoplastic
Efficacy
Antineoplastic
Comment
anthraquinone derivative
Target
TOP2 [HSA:7153 7155] [KO:K03164]
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D06190  Topixantrone (USAN/INN)
Other DBs
CAS: 156090-18-5
PubChem: 47207848
ChEMBL: CHEMBL153774
LigandBox: D06190
LinkDB
KCF data

ATOM        29
            1   N5x N    15.0500  -14.3500
            2   C8x C    15.0500  -15.7500
            3   C8x C    16.2624  -16.4500
            4   C8y C    17.4749  -15.7500
            5   C8y C    17.4749  -14.3500
            6   C8x C    16.2624  -13.6500
            7   C5x C    18.6873  -16.4500
            8   C8y C    19.8997  -15.7500
            9   C8y C    19.8997  -14.3500
            10  C8y C    18.6873  -13.6500
            11  C8y C    21.1122  -16.4500
            12  C8x C    22.3246  -15.7500
            13  C8x C    22.3246  -14.3500
            14  C8y C    21.1122  -13.6500
            15  N4y N    21.1122  -12.2500
            16  N5x N    18.6873  -12.2500
            17  O5x O    18.6873  -17.8500
            18  N1b N    21.1122  -17.8497
            19  C1b C    22.3454  -18.5620
            20  C1b C    23.5515  -17.8659
            21  N1c N    24.7333  -18.5484
            22  C1a C    25.9276  -17.8590
            23  C1a C    24.7333  -19.9498
            24  C1b C    23.5370  -12.2500
            25  C1b C    22.3246  -11.5500
            26  N1b N    24.7366  -11.5573
            27  C1b C    25.9259  -12.2440
            28  C1b C    27.1162  -11.5566
            29  O1a O    28.3061  -12.2436
BOND        32
            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   14  15 1
            18   15  16 1
            19   16  10 2
            20    7  17 2
            21   11  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   21  23 1
            27   24  25 1
            28   15  25 1
            29   24  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1

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