KEGG   DRUG: DelafloxacinHelp
Entry
D09330                      Drug                                   

Name
Delafloxacin (USAN)
Formula
C18H12ClF3N4O4
Exact mass
440.0499
Mol weight
440.7605
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antibacterial
 DG01550  Quinolone
  DG01549  Fluoroquinolone
Other
 DG01529  Topoisomerase inhibitor
  DG01528  Topoisomerase IV inhibitor
Remark
Chemical group: 
Activity
Antibacterial, Nucleic acid biosynthesis inhibitor
Comment
Fluoroquinolones
Target
DNA gyrase [KO:K02469 K02470];
topoisomerase IV [KO:K02621 K02622]
Brite
Antiinfectives [BR:br08307]
 Antibacterials
  Nucleic acid synthesis inhibitor
   type II topoisomerase (DNA gyrase, topoisomerase IV) inhibitor
    Fluoroquinolones
     Delafloxacin
      D09330  Delafloxacin (USAN)
BRITE hierarchy
Other DBs
CAS: 
189279-58-1
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        30
            1   C8y C    21.0000  -12.6000
            2   C8y C    21.0000  -11.2000
            3   N4y N    22.1900  -13.3000
            4   C8y C    19.7400  -13.3000
            5   C8y C    22.1900  -10.5000
            6   C8x C    19.7400  -10.5000
            7   C8x C    23.4500  -12.6000
            8   C8y C    22.1900  -14.7000
            9   C8y C    18.5500  -12.6000
            10  C8y C    23.4500  -11.2000
            11  O5x O    22.1900   -9.1000
            12  C8y C    18.5500  -11.2000
            13  N1y N    17.3600  -13.3000
            14  C6a C    24.6400  -10.5000
            15  X   F    17.3600  -10.5000
            16  O6a O    25.9000  -11.2000
            17  O6a O    24.6400   -9.0300
            18  N5x N    21.0000  -15.4000
            19  C8y C    21.0000  -16.8000
            20  C8y C    22.2600  -17.5000
            21  C8x C    23.4500  -16.8000
            22  C8y C    23.4500  -15.4000
            23  X   F    22.2600  -18.9000
            24  X   Cl   19.7400  -14.7000
            25  C1x C    17.0100  -14.6300
            26  C1y C    15.6800  -14.2800
            27  C1x C    16.0300  -12.9500
            28  O1a O    14.4900  -14.9800
            29  N1a N    19.8100  -17.5000
            30  X   F    24.6400  -14.7000
BOND        33
            1     1   2 2
            2     1   3 1
            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 1
            10    5  11 2
            11    6  12 2
            12    9  13 1
            13   10  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 2
            17    7  10 2
            18    9  12 1
            19    8  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24    8  22 1
            25   20  23 1
            26    4  24 1
            27   13  25 1
            28   25  26 1
            29   26  27 1
            30   13  27 1
            31   26  28 1
            32   19  29 1
            33   22  30 1

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