KEGG   DRUG: AmonafideHelp
Entry
D10090                      Drug                                   

Name
Amonafide (USAN)
Formula
C16H17N3O2
Exact mass
283.1321
Mol weight
283.3251
Structure
Mol fileKCF fileDB search
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)
BRITE hierarchy
Other DBs
CAS: 69408-81-7
PubChem: 135626809
ChEMBL: CHEMBL428676
LigandBox: D10090
LinkDB All DBs
KCF data Show

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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