KEGG   DRUG: DasabuvirHelp
Entry
D10553                      Drug                                   

Name
Dasabuvir (USAN/INN)
Formula
C26H27N3O5S
Exact mass
493.1671
Mol weight
493.5747
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antiviral
 DG02000  NS5B inhibitor
Remark
ATC code: J05AP09
Chemical structure group: DG01886
Efficacy
Antiviral, NS5B polymerase inhibitor
Target
NS5B [KO:K22472]
  Pathway
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
      D10553  Dasabuvir (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1132935-63-7
PubChem: 254741515
ChEBI: 85182
ChEMBL: CHEMBL3137312
LinkDB All DBs
KCF data Show

ATOM        35
            1   C8x C     9.7300  -13.9300
            2   C8y C     9.7300  -12.5300
            3   C8x C    10.9200  -11.8300
            4   C8y C    12.1800  -12.5300
            5   C8y C    12.1800  -13.9300
            6   C8x C    10.9200  -14.6300
            7   C8x C    13.3700  -11.8300
            8   C8x C    14.5600  -12.5300
            9   C8y C    14.5600  -13.9300
            10  C8x C    13.3700  -14.6300
            11  C8y C    15.7500  -14.6300
            12  C8x C    16.9400  -13.9300
            13  C8y C    18.2000  -14.6300
            14  C8x C    18.2000  -16.0300
            15  C8y C    17.0100  -16.7300
            16  C8y C    15.7500  -16.0300
            17  O2a O    14.5600  -16.7300
            18  C1a C    13.3700  -16.0300
            19  C1d C    17.0100  -18.1300
            20  C1a C    17.0100  -19.5300
            21  C1a C    18.4100  -18.1300
            22  C1a C    15.6100  -18.1300
            23  N4y N    19.3900  -13.9300
            24  C8x C    19.3900  -12.5300
            25  C8x C    20.6500  -11.8300
            26  C8y C    21.8400  -12.5300
            27  N4x N    21.8400  -13.9300
            28  C8y C    20.6500  -14.6300
            29  O5x O    23.0300  -11.8300
            30  O5x O    20.6500  -16.0300
            31  N1b N     8.5400  -11.8300
            32  S4a S     7.3500  -12.5300
            33  C1a C     6.1319  -11.8399
            34  O3c O     6.6500  -13.7424
            35  O3c O     8.0500  -13.7424
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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