KEGG   DRUG: Amonafide
Entry
D10090                      Drug                                   

Name
Amonafide (USAN)
Formula
C16H17N3O2
Exact mass
283.1321
Mol weight
283.3251
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
     D10090  Amonafide (USAN)
Other DBs
CAS: 69408-81-7
PubChem: 135626809
ChEMBL: CHEMBL428676
LigandBox: D10090
LinkDB
KCF data

ATOM        21
            1   N1y N    19.1100  -22.5400
            2   C1b C    20.5100  -22.5400
            3   C1b C    21.2100  -23.7524
            4   N1c N    22.6098  -23.7524
            5   C1a C    23.3003  -24.9480
            6   C1a C    23.3196  -22.5232
            7   C5x C    18.4100  -21.3276
            8   C8y C    17.0100  -21.3276
            9   C8y C    16.3100  -22.5400
            10  C8y C    17.0100  -23.7524
            11  C5x C    18.4100  -23.7524
            12  C8y C    14.9100  -22.5400
            13  C8x C    14.2100  -23.7524
            14  C8x C    14.9100  -24.9649
            15  C8x C    16.3100  -24.9649
            16  C8x C    16.3100  -20.1151
            17  C8y C    14.9100  -20.1151
            18  C8x C    14.2100  -21.3276
            19  N1a N    14.1990  -18.8840
            20  O5x O    19.1004  -20.1321
            21  O5x O    19.1004  -24.9479
BOND        23
            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

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