KEGG   DRUG: Dasabuvir sodium hydrate
Entry
D10581                      Drug                                   
Name
Dasabuvir sodium hydrate;
Dasabuvir sodium monohydrate;
Exviera (TN)
Formula
C26H26N3O5S. Na. H2O
Exact mass
533.1597
Mol weight
533.57
Structure
Simcomp
Class
Antiviral
 DG03198  Anti-HCV agent
  DG02000  HCV NS5B polymerase inhibitor
Remark
ATC code: J05AP09
Chemical structure group: DG01886
Efficacy
Antiviral, NS5B polymerase inhibitor
Target
HCV NS5B polymerase [KO:K22472]
  Pathway
ko03230  Viral genome structure
ko03240  Viral replication
ko05160  Hepatitis C
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
     J05AP09 Dasabuvir
      D10581  Dasabuvir sodium hydrate
Drug groups [BR:br08330]
 Antiviral
  DG03198  Anti-HCV agent
   DG02000  HCV NS5B polymerase inhibitor
    DG01886  Dasabuvir
     D10581  Dasabuvir sodium hydrate
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HCV NS5A/NS5B inhibitor
    D10581  Dasabuvir sodium hydrate
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10581
Drug groups [BR:br08330]
 Antiviral
  DG03198  Anti-HCV agent
   DG02000  HCV NS5B polymerase inhibitor
    DG01886  Dasabuvir
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Genome replication inhibitor
   HCV NS5A/NS5B inhibitor
    DG01886  Dasabuvir
Other DBs
PubChem: 254741543
ChEBI: 85178
LinkDB
KCF data

ATOM        37
            1   C8x C    16.1000  -14.9800
            2   C8y C    16.1000  -13.5800
            3   C8x C    17.2900  -12.8800
            4   C8y C    18.5500  -13.5800
            5   C8y C    18.5500  -14.9800
            6   C8x C    17.2900  -15.6800
            7   C8x C    19.7400  -12.8800
            8   C8x C    20.9300  -13.5800
            9   C8y C    20.9300  -14.9800
            10  C8x C    19.7400  -15.6800
            11  C8y C    22.1200  -15.6800
            12  C8x C    23.3100  -14.9800
            13  C8y C    24.5700  -15.6800
            14  C8x C    24.5700  -17.0800
            15  C8y C    23.3800  -17.7800
            16  C8y C    22.1200  -17.0800
            17  O2a O    20.9300  -17.7800
            18  C1a C    19.7400  -17.0800
            19  C1d C    23.3800  -19.1800
            20  C1a C    23.3800  -20.5800
            21  C1a C    24.7800  -19.1800
            22  C1a C    21.9800  -19.1800
            23  N4y N    25.7600  -14.9800
            24  C8x C    25.7600  -13.5800
            25  C8x C    27.0200  -12.8800
            26  C8y C    28.2100  -13.5800
            27  N4x N    28.2100  -14.9800
            28  C8y C    27.0200  -15.6800
            29  O5x O    29.4700  -12.8800
            30  O5x O    27.0200  -17.0800
            31  N1b N    14.9100  -12.8800 #-
            32  S4a S    13.7200  -13.5800
            33  C1a C    12.5300  -12.8800
            34  O3c O    13.0200  -14.8400
            35  O3c O    14.4200  -14.8400
            36  Z   Na   29.4700  -19.4600 #+
            37  O0  O    30.5200  -21.0700
BOND        38
            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    9  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   16  17 1
            20   17  18 1
            21   15  19 1
            22   19  20 1
            23   19  21 1
            24   19  22 1
            25   13  23 1
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   23  28 1
            32   26  29 2
            33   28  30 2
            34    2  31 1
            35   31  32 1
            36   32  33 1
            37   32  34 2
            38   32  35 2

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