KEGG   DRUG: Trovafloxacin mesylateHelp
Entry
D02123                      Drug                                   

Name
Trovafloxacin mesylate (USAN);
Trovan (TN)
Formula
C20H15F3N4O3. CH4SO3
Exact mass
512.0977
Mol weight
512.459
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antibacterial
 DG01550  Quinolone
  DG01549  Fluoroquinolone
Other
 DG01529  Topoisomerase inhibitor
  DG01528  Topoisomerase IV inhibitor
Remark
ATC code: 
Chemical group: 
Activity
Antibacterial, Nucleic acid biosynthesis inhibitor
Comment
Fluoroquinolones
Marketing discontinued
Target
DNA gyrase [KO:K02469 K02470];
topoisomerase IV [KO:K02621] [KO:K02622]
Interaction
Drug interaction
Structure map
Quinolones
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01M QUINOLONE ANTIBACTERIALS
    J01MA Fluoroquinolones
     J01MA13 Trovafloxacin
      D02123  Trovafloxacin mesylate (USAN)
Antiinfectives [BR:br08307]
 Antibacterials
  Nucleic acid synthesis inhibitor
   type II topoisomerase (DNA gyrase, topoisomerase IV) inhibitor
    Fluoroquinolones
     Trovafloxacin
      D02123  Trovafloxacin mesylate (USAN)
BRITE hierarchy
Other DBs
CAS: 
147059-75-4
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        35
            1   C8y C    20.8546  -15.7456
            2   N4y N    22.0442  -16.4454
            3   C8y C    20.8546  -14.3460
            4   N5x N    19.5949  -16.4454
            5   C8y C    22.0442  -17.8450
            6   C8x C    23.2339  -15.7456
            7   C8y C    21.9743  -13.6462
            8   C8x C    19.5949  -13.6462
            9   C8y C    18.4052  -15.7456
            10  C8y C    23.3039  -18.5448
            11  C8x C    20.8546  -18.5448
            12  C8y C    23.2339  -14.3460
            13  O5x O    21.9743  -12.2465
            14  C8y C    18.4052  -14.3460
            15  N1y N    17.2156  -16.5154
            16  C8x C    23.3039  -20.0144
            17  X   F    24.4936  -17.8450
            18  C8x C    20.8546  -19.9444
            19  C6a C    24.4236  -13.6462
            20  X   F    17.2156  -13.6462
            21  C8y C    22.0442  -20.6442
            22  O6a O    25.6133  -14.3460
            23  O6a O    24.4236  -12.2465
            24  X   F    22.0442  -22.1138
            25  C1x C    15.9097  -16.0116
            26  C1y C    15.0272  -17.0979
            27  C1y C    15.7875  -18.2730
            28  C1x C    17.2100  -17.9130
            29  C1y C    14.3464  -18.2649
            30  N1a N    13.1307  -18.9585
            31  S4a S    29.0420  -17.0056
            32  O1d O    29.0420  -15.6059
            33  O1d O    29.0420  -18.4052
            34  O1d O    30.4416  -17.0056
            35  C1a C    27.6424  -17.0056
BOND        38
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 2
            13    8  14 2
            14    9  15 1
            15   10  16 1
            16   10  17 1
            17   11  18 2
            18   12  19 1
            19   14  20 1
            20   16  21 2
            21   19  22 1
            22   19  23 2
            23   21  24 1
            24    7  12 1
            25    9  14 1
            26   18  21 1
            27   15  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   15  28 1
            32   26  29 1
            33   29  27 1
            34   29  30 1 #Down
            35   31  32 2
            36   31  33 2
            37   31  34 1
            38   31  35 1

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