KEGG   DRUG: Ciprofloxacin hydrate
Entry
D10822                      Drug                                   

Name
Ciprofloxacin hydrate (JAN);
Ciprofloxacin hemiheptahydrate
Formula
(C17H18FN3O3)2. 7H2O
Exact mass
788.3404
Mol weight
788.79
Structure
Simcomp
Class
Antibacterial
 DG01550  Quinolone
  DG01549  Fluoroquinolone
Other
 DG01529  Topoisomerase inhibitor
  DG01528  Topoisomerase IV inhibitor
Metabolizing enzyme inhibitor
 DG01634  CYP1A2 inhibitor
Remark
ATC code: J01MA02 S01AE03 S02AA15 S03AA07
Chemical structure group: DG00617
Product (DG00617): D00186<JP/US> D02216<JP/US>
Efficacy
Antibacterial, Nucleic acid biosynthesis inhibitor
Target
DNA gyrase [KO:K02469 K02470]
Interaction
CYP inhibition: CYP1A2 [HSA:1544]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01M QUINOLONE ANTIBACTERIALS
    J01MA Fluoroquinolones
     J01MA02 Ciprofloxacin
      D10822  Ciprofloxacin hydrate (JAN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AE Fluoroquinolones
     S01AE03 Ciprofloxacin
      D10822  Ciprofloxacin hydrate (JAN)
  S02 OTOLOGICALS
   S02A ANTIINFECTIVES
    S02AA Antiinfectives
     S02AA15 Ciprofloxacin
      D10822  Ciprofloxacin hydrate (JAN)
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03A ANTIINFECTIVES
    S03AA Antiinfectives
     S03AA07 Ciprofloxacin
      D10822  Ciprofloxacin hydrate (JAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10822
Other DBs
PubChem: 319902622
LinkDB
KCF data

ATOM        55
            1   C8y C    16.8474  -14.8819
            2   C8y C    16.8474  -16.2858
            3   C8x C    18.0407  -16.9878
            4   C8y C    19.3042  -16.2858
            5   C8y C    19.3042  -14.8819
            6   C8x C    18.0407  -14.1799
            7   N4y N    20.4976  -16.9878
            8   C8x C    21.6909  -16.2858
            9   C8y C    21.6909  -14.8819
            10  C8y C    20.4976  -14.1799
            11  N1y N    15.6540  -16.9878
            12  C1x C    14.4607  -16.2858
            13  C1x C    13.1971  -16.9878
            14  N1x N    13.1971  -18.3917
            15  C1x C    14.3905  -19.0937
            16  C1x C    15.6540  -18.3917
            17  X   F    15.6540  -14.1799
            18  O5x O    20.4976  -12.7760
            19  C6a C    22.8843  -14.1799
            20  O6a O    24.0776  -14.8819
            21  O6a O    22.8843  -12.7760
            22  C1y C    20.4976  -18.3917
            23  C1x C    21.1995  -19.5850
            24  C1x C    19.7956  -19.5850
            25  O0  O    29.6800  -19.4600
            26  C8y C    16.8474  -14.8819
            27  C8y C    16.8474  -16.2858
            28  C8x C    18.0407  -16.9878
            29  C8y C    19.3042  -16.2858
            30  C8y C    19.3042  -14.8819
            31  C8x C    18.0407  -14.1799
            32  C8y C    20.4976  -14.1799
            33  C8y C    21.6909  -14.8819
            34  C8x C    21.6909  -16.2858
            35  N4y N    20.4976  -16.9878
            36  C1y C    20.4976  -18.3917
            37  C1x C    21.1995  -19.5850
            38  C1x C    19.7956  -19.5850
            39  C6a C    22.8843  -14.1799
            40  O6a O    24.0776  -14.8819
            41  O6a O    22.8843  -12.7760
            42  O5x O    20.4976  -12.7760
            43  N1y N    15.6540  -16.9878
            44  C1x C    14.4607  -16.2858
            45  C1x C    13.1971  -16.9878
            46  N1x N    13.1971  -18.3917
            47  C1x C    14.3905  -19.0937
            48  C1x C    15.6540  -18.3917
            49  X   F    15.6540  -14.1799
            50  O0  O    29.6800  -19.4600
            51  O0  O    29.6800  -19.4600
            52  O0  O    29.6800  -19.4600
            53  O0  O    29.6800  -19.4600
            54  O0  O    29.6800  -19.4600
            55  O0  O    29.6800  -19.4600
BOND        54
            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 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    2  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   11  16 1
            19    1  17 1
            20   10  18 2
            21    9  19 1
            22   19  20 1
            23   19  21 2
            24    7  22 1
            25   22  23 1
            26   22  24 1
            27   23  24 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   29  30 1
            32   30  31 2
            33   26  31 1
            34   29  35 1
            35   35  34 1
            36   34  33 2
            37   33  32 1
            38   30  32 1
            39   27  43 1
            40   43  44 1
            41   44  45 1
            42   45  46 1
            43   46  47 1
            44   47  48 1
            45   43  48 1
            46   26  49 1
            47   32  42 2
            48   33  39 1
            49   39  40 1
            50   39  41 2
            51   35  36 1
            52   36  37 1
            53   36  38 1
            54   37  38 1
BRACKET     1    12.1800  -20.2300   12.1800  -11.5500
            1    24.9200  -11.5500   24.9200  -20.2300
            1  2
 ORIGINAL  1    1   2   3   4   5   6  10   9   8   7  22  23  24  19  20  21
            1   18  11  12  13  14  15  16  17
 REPEAT    1   26  27  28  29  30  31  32  33  34  35  36  37  38  39  40  41
            1   42  43  44  45  46  47  48  49
            2    27.3000  -20.2300   27.3000  -18.4100
            2    30.5900  -18.4100   30.5900  -20.2300
            2  7
 ORIGINAL  2   25
 REPEAT    2   50  51  52  53  54  55

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