KEGG   DRUG: Bemnifosbuvir
Entry
D12255                      Drug                                   
Name
Bemnifosbuvir (USAN)
Formula
C24H33FN7O7P
Exact mass
581.2163
Mol weight
581.5337
Structure
Class
Antiviral
 DG03198  Anti-HCV agent
  DG02000  HCV NS5B polymerase inhibitor
 DG03174  Anti-SARS-CoV-2 agent
Remark
Chemical structure group: DG03210
Efficacy
Antiviral
Comment
Treatment of COVID-19
Target
SARS coronavirus replicase [KO:K24149]
HCV NS5B polymerase [KO:K22472]
  Pathway
ko03230  Viral genome structure
ko03240  Viral replication
ko05160  Hepatitis C
ko05171  Coronavirus disease - COVID-19
Brite
Drug groups [BR:br08330]
 Antiviral
  DG03198  Anti-HCV agent
   DG02000  HCV NS5B polymerase inhibitor
    DG03210  Bemnifosbuvir
     D12255  Bemnifosbuvir
  DG03174  Anti-SARS-CoV-2 agent
   DG03210  Bemnifosbuvir
    D12255  Bemnifosbuvir
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HCV NS5A/NS5B inhibitor
    D12255  Bemnifosbuvir (USAN)
Drug groups [BR:br08330]
 Antiviral
  DG03198  Anti-HCV agent
   DG02000  HCV NS5B polymerase inhibitor
    DG03210  Bemnifosbuvir
  DG03174  Anti-SARS-CoV-2 agent
   DG03210  Bemnifosbuvir
Other DBs
CAS: 1998705-64-8
KCF data

ATOM        40
            1   C1a C     9.2400  -17.0100
            2   C1c C    10.4300  -17.7100
            3   O7a O    11.6200  -17.0100
            4   C7a C    12.8100  -17.7100
            5   C1c C    14.0000  -17.0100
            6   N1b N    15.1900  -17.7100
            7   C1a C    10.4300  -19.0400
            8   O6a O    12.8100  -19.0400
            9   C1a C    14.0000  -15.6100
            10  C1y C    20.7200  -17.5700
            11  C1y C    21.2100  -18.9000
            12  C1z C    22.6100  -18.9000
            13  C1y C    22.9600  -17.5000
            14  O2x O    21.8400  -16.6600
            15  P1b P    16.9400  -17.0100
            16  O3b O    15.7500  -16.3100
            17  O2b O    18.1300  -16.3100
            18  C8y C    18.1300  -14.9100
            19  C8x C    19.3200  -14.2100
            20  C8x C    19.3200  -12.8800
            21  C8x C    18.1300  -12.1800
            22  C8x C    16.9400  -12.8800
            23  C8x C    16.9400  -14.2100
            24  O2b O    18.3400  -17.7100
            25  C1b C    19.5300  -16.9400
            26  O1a O    20.4400  -20.0200
            27  C1a C    23.9400  -19.3900
            28  X   F    22.3300  -20.0900
            29  C8y C    24.0800  -15.2600
            30  N4y N    24.0800  -16.6600
            31  C8x C    25.4100  -17.0800
            32  N5x N    26.2500  -15.9600
            33  C8y C    25.4100  -14.8400
            34  C8y C    25.6900  -13.4400
            35  N5x N    24.6400  -12.5300
            36  C8y C    23.3100  -12.9500
            37  N5x N    23.0300  -14.3500
            38  N1b N    27.0200  -13.0200
            39  C1a C    28.0700  -13.9300
            40  N1a N    22.2600  -12.0400
BOND        43
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     2   7 1
            7     4   8 2
            8     5   9 1 #Down
            9    10  11 1
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   10  14 1
            14   15  16 2
            15   15  17 1
            16   17  18 1
            17   18  19 2
            18   19  20 1
            19   20  21 2
            20   21  22 1
            21   22  23 2
            22   18  23 1
            23   15  24 1 #Down
            24   24  25 1
            25   10  25 1 #Up
            26   11  26 1 #Down
            27   12  27 1 #Up
            28   12  28 1 #Down
            29   15   6 1 #Up
            30   29  30 1
            31   30  31 1
            32   31  32 2
            33   32  33 1
            34   29  33 1
            35   13  30 1 #Up
            36   33  34 2
            37   34  35 1
            38   35  36 2
            39   36  37 1
            40   29  37 2
            41   34  38 1
            42   38  39 1
            43   36  40 1

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