KEGG   DRUG: Gemifloxacin mesylate
Entry
D02471                      Drug                                   
Name
Gemifloxacin mesylate (USAN);
Factive (TN)
Formula
C18H20FN5O4. CH4SO3
Exact mass
485.1380
Mol weight
485.49
Structure
Simcomp
Class
Antibacterial
 DG01550  Quinolone
  DG01549  Fluoroquinolone
Remark
ATC code: J01MA15
Chemical structure group: DG00627
Efficacy
Antibacterial, Nucleic acid biosynthesis inhibitor
Target
DNA gyrase [KO:K02469 K02470]
topoisomerase IV [KO:K02621 K02622]
Interaction
Structure map
map07014  Quinolones
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01M QUINOLONE ANTIBACTERIALS
    J01MA Fluoroquinolones
     J01MA15 Gemifloxacin
      D02471  Gemifloxacin mesylate (USAN)
Drug groups [BR:br08330]
 Antibacterial
  DG01550  Quinolone
   DG01549  Fluoroquinolone
    DG00627  Gemifloxacin
     D02471  Gemifloxacin mesylate
Antimicrobials [BR:br08307]
 Antibacterials
  Nucleic acid synthesis inhibitor
   Fluoroquinolone
    D02471  Gemifloxacin mesylate (USAN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D02471
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D02471
Drug groups [BR:br08330]
 Antibacterial
  DG01550  Quinolone
   DG01549  Fluoroquinolone
    DG00627  Gemifloxacin
Other DBs
CAS: 210353-53-0
PubChem: 7849527
ChEBI: 53749
LigandBox: D02471
LinkDB
KCF data

ATOM        33
            1   C8y C    30.2409  -13.5574
            2   C8y C    30.2409  -14.9575
            3   N4y N    31.4533  -15.6575
            4   C8x C    32.6659  -14.9575
            5   C8y C    32.6659  -13.5574
            6   C8y C    31.4533  -12.8573
            7   C8x C    29.0284  -12.8573
            8   C8y C    27.8159  -13.5574
            9   C8y C    27.8159  -14.9575
            10  N5x N    29.0284  -15.6575
            11  C6a C    33.8798  -12.8565
            12  O6a O    35.0935  -13.5574
            13  O6a O    33.8798  -11.4573
            14  O5x O    31.4533  -11.4573
            15  X   F    26.6020  -12.8565
            16  N1y N    26.6020  -15.6583
            17  C1y C    31.4533  -17.0576
            18  C1x C    30.7542  -18.2709
            19  C1x C    32.1543  -18.2709
            20  C1x C    25.2614  -15.2410
            21  C2y C    24.4511  -16.3846
            22  C1y C    25.2884  -17.5087
            23  C1x C    26.6162  -17.0598
            24  C1b C    24.8762  -18.8311
            25  N2b N    23.0275  -16.4015
            26  O2a O    22.3131  -15.1974
            27  C1a C    20.9177  -15.2140
            28  N1a N    23.4762  -18.8311
            29  C1a C    38.7813  -15.1908
            30  S4a S    40.1814  -15.1908
            31  O1d O    40.1814  -16.5908
            32  O1d O    41.5815  -15.1908
            33  O1d O    40.1814  -13.7907
BOND        35
            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    5  11 1
            13   11  12 1
            14   11  13 2
            15    6  14 2
            16    8  15 1
            17    9  16 1
            18    3  17 1
            19   17  18 1
            20   17  19 1
            21   19  18 1
            22   16  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   16  23 1
            27   22  24 1
            28   21  25 2
            29   25  26 1
            30   26  27 1
            31   24  28 1
            32   29  30 1
            33   30  31 2
            34   30  32 1
            35   30  33 2

» Japanese version   » Back

KEGG   DRUG: Gemifloxacin
Entry
D08012                      Drug                                   
Name
Gemifloxacin (INN);
Factiv (TN)
Formula
C18H20FN5O4
Exact mass
389.1499
Mol weight
389.38
Structure
Simcomp
Class
Antibacterial
 DG01550  Quinolone
  DG01549  Fluoroquinolone
Remark
ATC code: J01MA15
Chemical structure group: DG00627
Efficacy
Antibacterial, Nucleic acid biosynthesis inhibitor
Target
DNA gyrase [KO:K02469 K02470]
topoisomerase IV [KO:K02621 K02622]
Interaction
Structure map
map07014  Quinolones
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01M QUINOLONE ANTIBACTERIALS
    J01MA Fluoroquinolones
     J01MA15 Gemifloxacin
      D08012  Gemifloxacin (INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01550  Quinolone
   DG01549  Fluoroquinolone
    DG00627  Gemifloxacin
     D08012  Gemifloxacin
Antimicrobials [BR:br08307]
 Antibacterials
  Nucleic acid synthesis inhibitor
   Fluoroquinolone
    D08012  Gemifloxacin (INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01550  Quinolone
   DG01549  Fluoroquinolone
    DG00627  Gemifloxacin
Other DBs
CAS: 204519-64-2
PubChem: 96024705
ChEBI: 101853
LigandBox: D08012
LinkDB
KCF data

ATOM        28
            1   C8y C    26.3900  -16.3800
            2   C8y C    26.3900  -17.7800
            3   N4y N    27.5800  -18.4800
            4   C8x C    28.7700  -17.7800
            5   C8y C    28.7700  -16.3800
            6   C8y C    27.5800  -15.6800
            7   C8x C    25.1300  -15.6800
            8   C8y C    23.9400  -16.3800
            9   C8y C    23.9400  -17.7800
            10  N5x N    25.1300  -18.4800
            11  C6a C    30.0300  -15.6800
            12  O6a O    31.2200  -16.3800
            13  O6a O    30.0300  -14.2800
            14  O5x O    27.5800  -14.2800
            15  X   F    22.7500  -15.6800
            16  N1y N    22.7500  -18.4800
            17  C1y C    27.5800  -19.8800
            18  C1x C    26.8800  -21.0700
            19  C1x C    28.2800  -21.0700
            20  C1x C    21.4200  -18.0600
            21  C2y C    20.5800  -19.1800
            22  C1y C    21.4200  -20.3000
            23  C1x C    22.7500  -19.8800
            24  C1b C    21.0000  -21.6300
            25  N2b N    19.1800  -19.1800
            26  O2a O    18.4800  -17.9900
            27  C1a C    17.0800  -17.9900
            28  N1a N    19.6000  -21.6300
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    5  11 1
            13   11  12 1
            14   11  13 2
            15    6  14 2
            16    8  15 1
            17    9  16 1
            18    3  17 1
            19   17  18 1
            20   17  19 1
            21   19  18 1
            22   16  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   16  23 1
            27   22  24 1
            28   21  25 2
            29   25  26 1
            30   26  27 1
            31   24  28 1

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