KEGG   DRUG: Inarigivir soproxil
Entry
D11385                      Drug                                   
Name
Inarigivir soproxil (USAN)
Formula
C25H34N7O13PS
Exact mass
703.1673
Mol weight
703.6153
Structure
Efficacy
Antiviral
Comment
Treatment of viral infections
Target
RARRES3 (DDX58, RIG1) [HSA:5920] [KO:K23266]
NOD2 [HSA:64127] [KO:K10165]
  Pathway
hsa04621  NOD-like receptor signaling pathway
hsa04668  TNF signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Cytokines and receptors
  Pattern recognition receptors
   NOD-like receptors
    NOD2
     D11385  Inarigivir soproxil (USAN)
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    RARRES3 (DDX58, RIG1)
     D11385  Inarigivir soproxil (USAN)
Other DBs
CAS: 942123-43-5
PubChem: 384585363
LinkDB
KCF data

ATOM        47
            1   C1y C    14.9800  -15.8200
            2   O2b O    16.1924  -16.5200
            3   P1b P    17.3879  -15.8296
            4   O2b O    18.5753  -16.5151
            5   C1b C    19.7665  -15.8271
            6   C1y C    20.9560  -16.5138
            7   S2a S    17.3880  -14.4203
            8   O3b O    16.1504  -15.1150
            9   C1b C    18.5794  -13.7322
            10  O7a O    19.7645  -14.4164
            11  C7a C    20.9569  -13.7277
            12  C1y C    21.3709  -17.8488
            13  C1x C    22.7740  -17.8666
            14  C1y C    23.2245  -16.5377
            15  O2x O    22.0999  -15.6986
            16  O1a O    20.5257  -18.9816
            17  N4y N    24.5805  -16.1164
            18  C8x C    25.6879  -16.9428
            19  N5x N    26.8161  -16.1450
            20  C8y C    26.4060  -14.8255
            21  C8y C    25.0243  -14.8078
            22  C8y C    27.1214  -13.6221
            23  N5x N    26.4370  -12.4008
            24  C8x C    25.0554  -12.3831
            25  N5x N    24.3399  -13.5865
            26  N1a N    28.4900  -13.6402
            27  O6a O    22.1458  -14.4141
            28  O7a O    20.9569  -12.3203
            29  C1c C    22.1491  -11.6317
            30  C1a C    23.3347  -12.3161
            31  C1a C    22.1492  -10.2203
            32  C1y C    14.5705  -14.4812
            33  C1y C    13.1707  -14.4570
            34  O2x O    12.7151  -15.7808
            35  C1y C    13.8333  -16.6232
            36  C1b C    13.8803  -17.9891
            37  O1a O    15.1005  -18.6389
            38  O2a O    15.4048  -13.3736
            39  C1a C    16.7892  -13.4034
            40  N4y N    12.3771  -13.3269
            41  C8x C    13.0844  -12.0843
            42  C8x C    12.3769  -10.8762
            43  C8y C    10.9769  -10.8848
            44  N4x N    10.2697  -12.1274
            45  C8y C    10.9771  -13.2655
            46  O5x O    10.2583  -14.4936
            47  O5x O    10.2574   -9.6570
BOND        51
            1     1   2 1 #Down
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     6   5 1 #Up
            6     3   7 1
            7     3   8 2
            8     7   9 1
            9     9  10 1
            10   10  11 1
            11    6  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15    6  15 1
            16   12  16 1 #Down
            17   14  17 1 #Up
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 1
            22   17  21 1
            23   20  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   21  25 2
            28   22  26 1
            29   11  27 2
            30   11  28 1
            31   28  29 1
            32   29  30 1
            33   29  31 1
            34    1  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38    1  35 1
            39   35  36 1 #Up
            40   36  37 1
            41   32  38 1 #Down
            42   38  39 1
            43   33  40 1 #Up
            44   40  41 1
            45   41  42 2
            46   42  43 1
            47   43  44 1
            48   44  45 1
            49   40  45 1
            50   45  46 2
            51   43  47 2

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