KEGG   DRUG: Crisnatol mesylate
Entry
D03602                      Drug                                   
Name
Crisnatol mesylate (USAN)
Formula
C23H23NO2. CH4SO3
Exact mass
441.161
Mol weight
441.5399
Structure
Class
Antineoplastic
 DG01529  Topoisomerase inhibitor
  DG01527  Topoisomerase II inhibitor
Efficacy
Antineoplastic
Target
TOP2 [HSA:7153 7155] [KO:K03164]
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01529  Topoisomerase inhibitor
   DG01527  Topoisomerase II inhibitor
    D03602  Crisnatol mesylate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D03602  Crisnatol mesylate (USAN)
Other DBs
CAS: 96389-69-4
PubChem: 17397712
LigandBox: D03602
LinkDB
KCF data

ATOM        31
            1   C8x C     3.1500   -6.5100
            2   C8x C     3.1500   -7.9100
            3   C8x C     4.3624   -8.6100
            4   C8y C     5.5749   -7.9100
            5   C8y C     5.5749   -6.5100
            6   C8x C     4.3624   -5.8100
            7   C8y C     6.7873   -8.6100
            8   C8x C     7.9997   -7.9100
            9   C8y C     7.9997   -6.5100
            10  C8y C     6.7873   -5.8100
            11  C8y C     9.2122   -5.8100
            12  C8y C     9.2122   -4.4100
            13  C8x C     7.9997   -3.7100
            14  C8x C     6.7873   -4.4100
            15  C8x C    10.4246   -6.5100
            16  C8x C    11.6370   -5.8100
            17  C8x C    11.6370   -4.4100
            18  C8x C    10.4246   -3.7100
            19  C1b C     6.7873  -10.0100
            20  N1b N     8.0018  -10.7112
            21  C1d C     9.1983  -10.0202
            22  C1b C    10.3936   -9.3297
            23  C1b C     9.8866  -11.2127
            24  C1a C     8.4869   -8.7879
            25  O1a O    11.5724  -10.0100
            26  O1a O    11.2699  -11.2126
            27  O1d O    17.7191   -6.7563
            28  S4a S    17.7191   -8.1533
            29  C1a C    16.3222   -8.1533
            30  O1d O    19.1161   -8.1533
            31  O1d O    17.7191   -9.5502
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 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    9  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   10  14 1
            17   11  15 1
            18   15  16 2
            19   16  17 1
            20   17  18 2
            21   12  18 1
            22    7  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   21  23 1
            27   21  24 1
            28   22  25 1
            29   23  26 1
            30   27  28 2
            31   28  29 1
            32   28  30 1
            33   28  31 2

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