KEGG   DRUG: Amonafide l-malate
Entry
D10091                      Drug                                   

Name
Amonafide l-malate (USAN)
Formula
C16H17N3O2. C4H6O5
Exact mass
417.1536
Mol weight
417.4125
Structure
Class
Other
 DG01529  Topoisomerase inhibitor
  DG01527  Topoisomerase II inhibitor
Remark
Chemical structure group: DG01268
Efficacy
Antineoplastic, Topoisomerase II inhibitor
Comment
Treatment of secondary acute myeloid leukemia (sAML)
Target
TOP2 [HSA:7153 7155] [KO:K03164]
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D10091  Amonafide l-malate (USAN)
Other DBs
CAS: 618863-54-0
PubChem: 135626810
ChEMBL: CHEMBL2104952
LigandBox: D10091
LinkDB
KCF data

ATOM        30
            1   N1y N    24.8500  -21.7700
            2   C1b C    26.2500  -21.7700
            3   C1b C    26.9500  -23.0300
            4   N1c N    28.3500  -23.0300
            5   C1a C    29.0500  -24.2200
            6   C1a C    29.0500  -21.7700
            7   C5x C    24.1500  -20.5800
            8   C8y C    22.7500  -20.5800
            9   C8y C    22.0500  -21.7700
            10  C8y C    22.7500  -23.0300
            11  C5x C    24.1500  -23.0300
            12  C8y C    20.6500  -21.7700
            13  C8x C    19.9500  -23.0300
            14  C8x C    20.6500  -24.2200
            15  C8x C    22.0500  -24.2200
            16  C8x C    22.0500  -19.3900
            17  C8y C    20.6500  -19.3900
            18  C8x C    19.9500  -20.5800
            19  N1a N    19.9500  -18.1300
            20  O5x O    24.8500  -19.3900
            21  O5x O    24.8500  -24.2200
            22  O6a O    32.5500  -20.8600
            23  C6a C    33.7624  -21.5600
            24  C1c C    34.9579  -20.8696
            25  O6a O    33.7625  -22.9598
            26  C1b C    36.1453  -21.5551
            27  C6a C    37.3365  -20.8671
            28  O6a O    38.5260  -21.5538
            29  O6a O    37.3365  -19.4603
            30  O1a O    34.9580  -19.4603
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     4   6 1
            6     1   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    1  11 1
            12    9  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   10  15 2
            17    8  16 2
            18   16  17 1
            19   17  18 2
            20   18  12 1
            21   17  19 1
            22    7  20 2
            23   11  21 2
            24   22  23 1
            25   23  24 1
            26   23  25 2
            27   24  26 1
            28   26  27 1
            29   27  28 1
            30   27  29 2
            31   24  30 1 #Up

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