KEGG   DRUG: Gepotidacin mesylate
Entry
D10879                      Drug                                   
Name
Gepotidacin mesylate (USAN);
Gepotidacin mesilate hydrate (JAN);
Blujepa (TN)
Product
BLUJEPA (GlaxoSmithKline LLC)
Formula
C24H28N6O3. CH4SO3. 2H2O
Exact mass
580.2315
Mol weight
580.66
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: J01XX13
Chemical structure group: DG01998
Product (DG01998): D10879<US>
Efficacy
Antibacterial
  Disease
Uncomplicated urinary tract infection [DS:H01176]
Comment
Triazaacenaphthylene
Target
DNA gyrase [KO:K02469 K02470]
topoisomerase IV [KO:K02621 K02622]
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01X OTHER ANTIBACTERIALS
    J01XX Other antibacterials
     J01XX13 Gepotidacin
      D10879  Gepotidacin mesylate (USAN) <US>
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01998  Gepotidacin
     D10879  Gepotidacin mesylate
Antimicrobials [BR:br08307]
 Antibacterials
  Nucleic acid synthesis inhibitor
   DNA replication inhibitor
    D10879  Gepotidacin mesylate (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10879
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10879
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10879
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01998  Gepotidacin
Other DBs
CAS: 1624306-20-2
PubChem: 328082971
LinkDB
KCF data

ATOM        40
            1   C8x C    13.4590  -21.1298
            2   C8y C    13.4590  -19.7351
            3   N4y N    14.6445  -19.0378
            4   C8y C    15.8997  -19.7351
            5   C8y C    15.8997  -21.1298
            6   C8x C    14.6445  -21.8271
            7   N4y N    17.0852  -19.0378
            8   C8y C    18.2707  -19.7351
            9   C8x C    18.2707  -21.1298
            10  N5x N    17.0852  -21.8271
            11  O5x O    12.2735  -19.0378
            12  O5x O    19.4562  -19.0378
            13  C1x C    15.2024  -17.5733
            14  C1y C    16.5971  -17.5733
            15  C1b C    17.7825  -16.8760
            16  N1y N    17.7825  -15.4813
            17  C1x C    16.5971  -14.7840
            18  C1x C    16.5971  -13.3893
            19  C1y C    17.7825  -12.6919
            20  C1x C    19.0378  -13.3893
            21  C1x C    19.0378  -14.7840
            22  N1b N    17.7825  -11.2972
            23  C1b C    18.9680  -10.5999
            24  C8y C    20.1535  -11.2972
            25  C8x C    21.3390  -10.5999
            26  C8y C    22.5942  -11.2972
            27  C8y C    22.5942  -12.6919
            28  C8x C    21.4087  -13.3893
            29  N5x N    20.1535  -12.6919
            30  C1x C    23.7797  -10.5999
            31  C1x C    24.9652  -11.2972
            32  C1x C    24.9652  -12.6919
            33  O2x O    23.7797  -13.3893
            34  S4a S    24.8500  -20.4400
            35  O1d O    24.8500  -19.0400
            36  O1d O    24.8500  -21.8400
            37  C1a C    23.4500  -20.4400
            38  O1d O    26.2500  -20.4400
            39  O0  O    26.8100  -16.4500
            40  O0  O    26.8100  -14.7700
BOND        42
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    2  11 2
            13    8  12 2
            14    3  13 1
            15   13  14 1
            16   14   7 1
            17   14  15 1 #Up
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   16  21 1
            25   19  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 2
            29   25  26 1
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   24  29 1
            34   26  30 1
            35   30  31 1
            36   31  32 1
            37   32  33 1
            38   27  33 1
            39   34  35 2
            40   34  36 2
            41   34  37 1
            42   34  38 1

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