KEGG   DRUG: Ravidasvir
Entry
D12744                      Drug                                   
Name
Ravidasvir (USAN/INN)
Formula
C42H50N8O6
Exact mass
762.3853
Mol weight
762.8964
Structure
Class
Antiviral
 DG03198  Anti-HCV agent
  DG01999  HCV NS5A inhibitor
Remark
ATC code: J05AP13
Chemical structure group: DG03286
Efficacy
Antiviral, NS5A inhibitor
Comment
Treatment of hepatitis C
Target
HCV NS5A [KO:K22275]
  Pathway
ko03230  Viral genome structure
ko03240  Viral replication
ko05160  Hepatitis C
ko05203  Viral carcinogenesis
  Network
nt06163  Hepatitis C virus (HCV)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AP Antivirals for treatment of HCV infections
     J05AP13 Ravidasvir
      D12744  Ravidasvir (USAN/INN)
Drug groups [BR:br08330]
 Antiviral
  DG03198  Anti-HCV agent
   DG01999  HCV NS5A inhibitor
    DG03286  Ravidasvir
     D12744  Ravidasvir
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HCV NS5A/NS5B inhibitor
    D12744  Ravidasvir (USAN/INN)
Drug groups [BR:br08330]
 Antiviral
  DG03198  Anti-HCV agent
   DG01999  HCV NS5A inhibitor
    DG03286  Ravidasvir
Other DBs
CAS: 1242087-93-9
LinkDB
KCF data

ATOM        56
            1   C8x C    24.2200  -34.5800
            2   C8y C    24.2200  -35.9800
            3   C8x C    25.4100  -36.6800
            4   C8y C    26.6700  -35.9800
            5   C8y C    26.6700  -34.5800
            6   C8x C    25.4100  -33.8800
            7   C8x C    27.8600  -36.6800
            8   C8x C    29.0500  -35.9800
            9   C8y C    29.0500  -34.5800
            10  C8x C    27.8600  -33.8800
            11  C8y C    23.0300  -36.6800
            12  C8x C    21.8400  -35.9800
            13  C8y C    20.5800  -36.6800
            14  C8y C    20.5800  -38.0800
            15  C8x C    21.7700  -38.7800
            16  C8x C    23.0300  -38.0800
            17  N5x N    19.2500  -36.2600
            18  C8y C    18.4800  -37.3800
            19  N4x N    19.2500  -38.5000
            20  C8y C    30.2400  -33.8800
            21  C7a C    33.1100  -34.3000
            22  O6a O    34.3000  -35.0000
            23  O7a O    31.9200  -35.0000
            24  C1a C    31.9200  -36.4000
            25  N1b N    33.1100  -32.9000
            26  C1c C    34.3000  -32.2000
            27  C1c C    35.4900  -32.9000
            28  C1a C    36.6800  -32.2000
            29  C1a C    35.4900  -34.3000
            30  C5a C    34.3000  -30.8000
            31  O5a O    35.4900  -30.1000
            32  N1y N    32.9700  -29.9600
            33  C1x C    32.8300  -28.5600
            34  C1x C    31.4300  -28.2800
            35  C1x C    30.7300  -29.4700
            36  C1y C    31.7100  -30.5200
            37  C8y C    31.3600  -31.8500
            38  N4x N    30.1000  -32.4800
            39  C8x C    31.6400  -34.1600
            40  N5x N    32.3400  -32.9700
            41  C1y C    17.0800  -37.3800
            42  N1y N    16.2400  -36.2600
            43  C1x C    14.9100  -36.6800
            44  C1x C    14.9100  -38.0800
            45  C1x C    16.2400  -38.5000
            46  C5a C    16.2400  -34.8600
            47  O5a O    15.0500  -34.1600
            48  C1c C    17.5000  -34.1600
            49  N1b N    18.6900  -34.9300
            50  C1c C    17.5000  -32.7600
            51  C7a C    19.8800  -34.2300
            52  O7a O    21.0700  -34.9300
            53  C1a C    22.3300  -34.2300
            54  O6a O    19.8800  -32.8300
            55  C1a C    18.6900  -32.1300
            56  C1a C    16.3100  -32.1300
BOND        62
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    2  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   13  17 1
            20   17  18 2
            21   18  19 1
            22   14  19 1
            23    9  20 1
            24   21  22 2
            25   21  23 1
            26   23  24 1
            27   21  25 1
            28   25  26 1
            29   26  27 1 #Down
            30   27  28 1
            31   27  29 1
            32   26  30 1
            33   30  31 2
            34   30  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   32  36 1
            40   36  37 1 #Down
            41   37  38 1
            42   38  20 1
            43   20  39 2
            44   39  40 1
            45   37  40 2
            46   41  18 1 #Down
            47   41  42 1
            48   42  43 1
            49   43  44 1
            50   44  45 1
            51   41  45 1
            52   46  47 2
            53   46  48 1
            54   48  49 1
            55   48  50 1 #Down
            56   49  51 1
            57   51  52 1
            58   52  53 1
            59   51  54 2
            60   50  55 1
            61   50  56 1
            62   46  42 1

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KEGG   DRUG: Ravidasvir hydrochloride
Entry
D12745                      Drug                                   
Name
Ravidasvir hydrochloride (USAN);
Ravidasvir dihydrochloride
Formula
C42H50N8O6. 2HCl
Exact mass
834.3387
Mol weight
835.8183
Structure
Class
Antiviral
 DG03198  Anti-HCV agent
  DG01999  HCV NS5A inhibitor
Remark
ATC code: J05AP13
Chemical structure group: DG03286
Efficacy
Antiviral, NS5A inhibitor
Comment
Treatment of hepatitis C
Target
HCV NS5A [KO:K22275]
  Pathway
ko03230  Viral genome structure
ko03240  Viral replication
ko05160  Hepatitis C
ko05203  Viral carcinogenesis
  Network
nt06163  Hepatitis C virus (HCV)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AP Antivirals for treatment of HCV infections
     J05AP13 Ravidasvir
      D12745  Ravidasvir hydrochloride (USAN)
Drug groups [BR:br08330]
 Antiviral
  DG03198  Anti-HCV agent
   DG01999  HCV NS5A inhibitor
    DG03286  Ravidasvir
     D12745  Ravidasvir hydrochloride
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HCV NS5A/NS5B inhibitor
    D12745  Ravidasvir hydrochloride (USAN)
Drug groups [BR:br08330]
 Antiviral
  DG03198  Anti-HCV agent
   DG01999  HCV NS5A inhibitor
    DG03286  Ravidasvir
Other DBs
CAS: 1303533-81-4
LinkDB
KCF data

ATOM        58
            1   C8x C    17.0853  -17.0177
            2   C8y C    17.0853  -18.4180
            3   C8x C    18.2756  -19.1182
            4   C8y C    19.5359  -18.4180
            5   C8y C    19.5359  -17.0177
            6   C8x C    18.2756  -16.3175
            7   C8x C    20.7262  -19.1182
            8   C8x C    21.9165  -18.4180
            9   C8y C    21.9165  -17.0177
            10  C8x C    20.7262  -16.3175
            11  C8y C    15.8951  -19.1182
            12  C8x C    14.7048  -18.4180
            13  C8y C    13.4445  -19.1182
            14  C8y C    13.4445  -20.5186
            15  C8x C    14.6347  -21.2187
            16  C8x C    15.8951  -20.5186
            17  N5x N    12.1141  -18.6981
            18  C8y C    11.3439  -19.8184
            19  N4x N    12.1141  -20.9387
            20  C8y C    23.1068  -16.3175
            21  C7a C    25.9775  -16.7376
            22  O6a O    27.1678  -17.4378
            23  O7a O    24.7872  -17.4378
            24  C1a C    24.7872  -18.8381
            25  N1b N    25.9775  -15.3373
            26  C1c C    27.1678  -14.6371
            27  C1c C    28.3581  -15.3373
            28  C1a C    29.5484  -14.6371
            29  C1a C    28.3581  -16.7376
            30  C5a C    27.1678  -13.2368
            31  O5a O    28.3581  -12.5366
            32  N1y N    25.8375  -12.3966
            33  C1x C    25.6975  -10.9962
            34  C1x C    24.2971  -10.7162
            35  C1x C    23.5969  -11.9064
            36  C1y C    24.5772  -12.9567
            37  C8y C    24.2271  -14.2870
            38  N4x N    22.9668  -14.9172
            39  C8x C    24.5072  -16.5976
            40  N5x N    25.2073  -15.4073
            41  C1y C     9.9436  -19.8184
            42  N1y N     9.1034  -18.6981
            43  C1x C     7.7731  -19.1182
            44  C1x C     7.7731  -20.5186
            45  C1x C     9.1034  -20.9387
            46  C5a C     9.1034  -17.2978
            47  O5a O     7.9131  -16.5976
            48  C1c C    10.3637  -16.5976
            49  N1b N    11.5540  -17.3678
            50  C1c C    10.3637  -15.1973
            51  C7a C    12.7443  -16.6676
            52  O7a O    13.9346  -17.3678
            53  C1a C    15.1949  -16.6676
            54  O6a O    12.7443  -15.2673
            55  C1a C    11.5540  -14.5671
            56  C1a C     9.1734  -14.5671
            57  X   Cl   21.9800  -21.6300
            58  X   Cl   24.5000  -21.5600
BOND        62
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    2  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   13  17 1
            20   17  18 2
            21   18  19 1
            22   14  19 1
            23    9  20 1
            24   21  22 2
            25   21  23 1
            26   23  24 1
            27   21  25 1
            28   25  26 1
            29   26  27 1 #Down
            30   27  28 1
            31   27  29 1
            32   26  30 1
            33   30  31 2
            34   30  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   32  36 1
            40   36  37 1 #Down
            41   37  38 1
            42   38  20 1
            43   20  39 2
            44   39  40 1
            45   37  40 2
            46   41  18 1 #Down
            47   41  42 1
            48   42  43 1
            49   43  44 1
            50   44  45 1
            51   41  45 1
            52   46  47 2
            53   46  48 1
            54   48  49 1
            55   48  50 1 #Down
            56   49  51 1
            57   51  52 1
            58   52  53 1
            59   51  54 2
            60   50  55 1
            61   50  56 1
            62   46  42 1

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