KEGG   DRUG: Delafloxacin meglumine
Entry
D09331                      Drug                                   

Name
Delafloxacin meglumine (USAN);
Baxdela (TN)
Product
Formula
C18H12ClF3N4O4. C7H17NO5
Exact mass
635.1606
Mol weight
635.9741
Structure
Class
Antibacterial
 DG01550  Quinolone
  DG01549  Fluoroquinolone
Other
 DG01529  Topoisomerase inhibitor
  DG01528  Topoisomerase IV inhibitor
Remark
ATC code: J01MA23
Chemical structure group: DG01215
Product (DG01215): D09331<US>
Efficacy
Antibacterial, Nucleic acid biosynthesis inhibitor
Comment
Fluoroquinolones
Target
DNA gyrase [KO:K02469 K02470]
topoisomerase IV [KO:K02621 K02622]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01M QUINOLONE ANTIBACTERIALS
    J01MA Fluoroquinolones
     J01MA23 Delafloxacin
      D09331  Delafloxacin meglumine (USAN) <US>
USP drug classification [BR:br08302]
 Antibacterials
  Quinolones
   Delafloxacin
    D09331  Delafloxacin meglumine (USAN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09331
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09331
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09331
Other DBs
CAS: 352458-37-8
PubChem: 96026011
ChEMBL: CHEMBL2105638
LigandBox: D09331
LinkDB
KCF data

ATOM        43
            1   C8y C    14.5600  -21.4200
            2   C8y C    14.5600  -20.0200
            3   N4y N    15.7500  -22.1200
            4   C8y C    13.3000  -22.1200
            5   C8y C    15.7500  -19.3200
            6   C8x C    13.3000  -19.3200
            7   C8x C    17.0100  -21.4200
            8   C8y C    15.7500  -23.5200
            9   C8y C    12.1100  -21.4200
            10  C8y C    17.0100  -20.0200
            11  O5x O    15.7500  -17.9200
            12  C8y C    12.1100  -20.0200
            13  N1y N    10.9200  -22.1200
            14  C6a C    18.2000  -19.3200
            15  X   F    10.9200  -19.3200
            16  O6a O    19.4600  -20.0200
            17  O6a O    18.2000  -17.8500
            18  N5x N    14.5600  -24.2200
            19  C8y C    14.5600  -25.6200
            20  C8y C    15.8200  -26.3200
            21  C8x C    17.0100  -25.6200
            22  C8y C    17.0100  -24.2200
            23  X   F    15.8200  -27.7200
            24  X   Cl   13.3000  -23.5200
            25  C1x C    10.5700  -23.4500
            26  C1y C     9.2400  -23.1000
            27  C1x C     9.5900  -21.7700
            28  O1a O     8.0500  -23.8000
            29  N1a N    13.3700  -26.3200
            30  X   F    18.2000  -23.5200
            31  N1b N    23.7300  -22.6800
            32  C1b C    24.9424  -23.3800
            33  C1a C    22.5176  -23.3800
            34  C1c C    26.1379  -22.6896
            35  C1c C    27.3253  -23.3751
            36  C1c C    28.5165  -22.6871
            37  C1c C    29.7060  -23.3738
            38  C1b C    30.8961  -22.6865
            39  O1a O    32.0862  -23.3735
            40  O1a O    29.7062  -24.7798
            41  O1a O    28.5165  -21.2803
            42  O1a O    26.1380  -21.2803
            43  O1a O    27.3255  -24.7798
BOND        45
            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
            34   31  32 1
            35   31  33 1
            36   32  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 1
            40   37  38 1
            41   38  39 1
            42   37  40 1 #Up
            43   36  41 1 #Down
            44   34  42 1 #Down
            45   35  43 1 #Down

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