KEGG   DRUG: Baloxavir marboxil
Entry
D11021                      Drug                                   
Name
Baloxavir marboxil (JAN/USAN/INN);
Xofluza (TN)
Product
XOFLUZA (Genentech)
Formula
C27H23F2N3O7S
Exact mass
571.1225
Mol weight
571.5492
Structure
Simcomp
Class
Antiviral
 DG03029  Anti-influenza virus agent
Remark
Therapeutic category: 6250
ATC code: J05AX25
Chemical structure group: DG02962
Product (DG02962): D11021<JP/US>
Efficacy
Antiviral, cap-dependent endonuclease inhibitor
  Disease
Influenza [DS:H00398]
Comment
Antiviral for the treatment of influenza A and B
Active form of prodrug: Baloxavir [DR:D11278]
Target
Influenza A virus polymerase acidic protein [KO:K19390]
  Pathway
ko03230  Viral genome structure
ko03240  Viral replication
ko05164  Influenza A
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AX Other antivirals
     J05AX25 Baloxavir marboxil
      D11021  Baloxavir marboxil (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-influenza Agents
   Baloxavir Marboxil
    D11021  Baloxavir marboxil (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D11021  Baloxavir marboxil (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antiviral
  DG03029  Anti-influenza virus agent
   DG02962  Baloxavir
    D11021  Baloxavir marboxil
Drug classes [BR:br08332]
 Antiviral
  DG03029  Anti-influenza virus agent
   D11021  Baloxavir marboxil
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   Other inhibitor
    D11021  Baloxavir marboxil (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11021
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11021
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11021
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11021
Drug groups [BR:br08330]
 Antiviral
  DG03029  Anti-influenza virus agent
   DG02962  Baloxavir
Other DBs
CAS: 1985606-14-1
PubChem: 348350493
LinkDB
KCF data

ATOM        40
            1   N1y N    17.0975  -16.8144
            2   N4y N    18.2887  -16.1138
            3   C8y C    18.2887  -14.7124
            4   C5x C    17.0975  -14.0117
            5   N1y N    15.9064  -14.7124
            6   C1y C    15.9064  -16.1138
            7   C8x C    19.5499  -16.8144
            8   C8x C    20.7410  -16.1138
            9   C8y C    20.7410  -14.7124
            10  C8y C    19.5499  -14.0117
            11  C1x C    14.7152  -14.0117
            12  C1x C    13.4540  -14.7124
            13  O2x O    13.4540  -16.1138
            14  C1x C    14.7152  -16.8144
            15  O5x O    17.0975  -12.6104
            16  O5x O    21.9322  -14.0117
            17  O2a O    19.5499  -12.6104
            18  C1b C    20.7410  -11.9097
            19  O7a O    21.9322  -12.6104
            20  C7a C    23.1233  -11.9097
            21  O7a O    24.3145  -12.6104
            22  C1a C    25.5056  -11.9097
            23  O6a O    23.1233  -10.5084
            24  C1x C    16.3969  -21.3688
            25  C8y C    15.5560  -20.2477
            26  C8y C    15.8363  -18.8464
            27  C1y C    17.0975  -18.2858
            28  S2x S    17.7982  -21.3688
            29  C8y C    18.3587  -18.9164
            30  C8y C    18.7091  -20.3178
            31  C8x C    14.8554  -17.8654
            32  C8x C    13.5241  -18.2858
            33  C8y C    13.1738  -19.6171
            34  C8y C    14.1547  -20.5981
            35  C8x C    20.0404  -20.7382
            36  C8x C    21.0914  -19.7573
            37  C8x C    20.7410  -18.4260
            38  C8x C    19.4098  -18.0056
            39  X   F    13.8044  -21.9293
            40  X   F    11.8425  -19.9675
BOND        45
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    3  10 2
            12    5  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    6  14 1
            17    4  15 2
            18    9  16 2
            19   10  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   20  23 2
            26   26  27 1
            27   24  28 1
            28   27  29 1
            29   25  26 1
            30   28  30 1
            31   24  25 1
            32   29  30 1
            33   26  31 2
            34   31  32 1
            35   32  33 2
            36   33  34 1
            37   25  34 2
            38   30  35 2
            39   35  36 1
            40   36  37 2
            41   37  38 1
            42   29  38 2
            43   34  39 1
            44   33  40 1
            45   27   1 1 #Down

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