KEGG   DRUG: Teloxantrone hydrochloride
Entry
D06059                      Drug                                   

Name
Teloxantrone hydrochloride (USAN)
Formula
C21H25N5O4. 2HCl. H2O
Exact mass
501.1546
Mol weight
502.3915
Structure
Simcomp
Class
Antineoplastic
 DG01727  Anthraquinone antineoplastic
Efficacy
Antineoplastic, Topoisomerase II inhibitor
Comment
anthraquinone derivative - anthrapyrazole
Target
TOP2 [HSA:7153 7155] [KO:K03164]
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D06059  Teloxantrone hydrochloride (USAN)
Other DBs
CAS: 132937-88-3
PubChem: 47207717
ChEMBL: CHEMBL3989649
LigandBox: D06059
LinkDB
KCF data

ATOM        33
            1   C8x C    23.4500  -17.1500
            2   C8x C    23.4500  -18.5500
            3   C8y C    24.6624  -19.2500
            4   C8y C    25.8749  -18.5500
            5   C8y C    25.8749  -17.1500
            6   C8y C    24.6624  -16.4500
            7   C5x C    27.0873  -19.2500
            8   C8y C    28.2997  -18.5500
            9   C8y C    28.2997  -17.1500
            10  C8y C    27.0873  -16.4500
            11  C8y C    29.5122  -19.2500
            12  C8x C    30.7246  -18.5500
            13  C8x C    30.7246  -17.1500
            14  C8y C    29.5122  -16.4500
            15  N4y N    29.5122  -15.0500
            16  N5x N    27.0873  -15.0500
            17  O5x O    27.0873  -20.6500
            18  O1a O    24.6624  -15.0502
            19  O1a O    24.6624  -20.6498
            20  N1b N    29.5122  -20.6497
            21  C1b C    30.7408  -14.3302
            22  C1b C    31.9637  -15.0321
            23  N1b N    33.1514  -14.3422
            24  C1b C    34.3503  -15.0301
            25  C1b C    35.5497  -14.3332
            26  O1a O    36.7426  -15.0176
            27  C1b C    30.7454  -21.3620
            28  C1b C    31.9514  -20.6658
            29  N1b N    33.1334  -21.3484
            30  C1a C    34.3275  -20.6589
            31  X   Cl   39.2000  -17.9200
            32  O0  O    39.6900  -20.0200
            33  X   Cl   39.2000  -17.9200
BOND        33
            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    6  18 1
            22    3  19 1
            23   11  20 1
            24   15  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   20  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
BRACKET     1    37.7300  -18.8300   37.7300  -16.9400
            1    40.0400  -16.9400   40.0400  -18.8300
            1  2
 ORIGINAL  1   31
 REPEAT    1   33

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