KEGG   DRUG: Vosaroxin
Entry
D08024                      Drug                                   
Name
Vosaroxin (USAN);
Voreloxin
Formula
C18H19N5O4S
Exact mass
401.1158
Mol weight
401.44
Structure
Class
Antineoplastic
 DG01529  Topoisomerase inhibitor
  DG01527  Topoisomerase II inhibitor
Remark
ATC code: L01XX53
Efficacy
Antineoplastic, Topoisomerase II inhibitor
Comment
Name previously used: Voreloxin
Target
TOP2 [HSA:7153 7155] [KO:K03164]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX53 Vosaroxin
      D08024  Vosaroxin (USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01529  Topoisomerase inhibitor
   DG01527  Topoisomerase II inhibitor
    D08024  Vosaroxin
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D08024  Vosaroxin (USAN)
Other DBs
CAS: 175414-77-4
PubChem: 96024717
LigandBox: D08024
LinkDB
KCF data

ATOM        28
            1   C8y C    25.3400  -21.0700
            2   C8y C    25.3400  -22.4700
            3   N4y N    26.5300  -23.1700
            4   C8x C    27.7900  -22.4700
            5   C8y C    27.7900  -21.0700
            6   C8y C    26.5300  -20.3700
            7   C8x C    24.1500  -20.3700
            8   C8x C    22.8900  -21.0700
            9   C8y C    22.8900  -22.4700
            10  N5x N    24.1500  -23.1700
            11  O5x O    26.5300  -18.9700
            12  C6a C    28.9800  -20.3700
            13  O6a O    30.1700  -21.0700
            14  O6a O    28.9800  -18.9700
            15  C8y C    26.5300  -24.5700
            16  N1y N    21.7000  -23.1700
            17  N5x N    25.4100  -25.4100
            18  C8x C    25.8300  -26.7400
            19  C8x C    27.2300  -26.7400
            20  S2x S    27.7200  -25.4100
            21  C1x C    20.5800  -22.4000
            22  C1y C    19.4600  -23.1700
            23  C1y C    19.8800  -24.5000
            24  C1x C    21.2800  -24.5000
            25  N1b N    18.1300  -22.7500
            26  C1a C    17.0800  -23.7300
            27  O2a O    19.0400  -25.6200
            28  C1a C    17.6400  -25.4800
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    6  11 2
            13    5  12 1
            14   12  13 1
            15   12  14 2
            16    3  15 1
            17    9  16 1
            18   15  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   15  20 1
            23   16  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   16  24 1
            28   22  25 1 #Up
            29   25  26 1
            30   23  27 1 #Down
            31   27  28 1

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