KEGG   DRUG: MericitabineHelp
Entry
D10477                      Drug                                   

Name
Mericitabine (USAN/INN)
Formula
C18H26FN3O6
Exact mass
399.1806
Mol weight
399.4139
Structure
Mol fileKCF fileDB search
Class
Antiviral
 DG01440  Arabinofuranosyl type antiviral
 DG02000  NS5B inhibitor
Efficacy
Antiviral, NS5B polymerase inhibitor
Comment
Treatment of hepatitis C
Target
NS5B polymerase
Other DBs
CAS: 940908-79-2
PubChem: 172232570
ChEMBL: CHEMBL562967
LinkDB All DBs
KCF data Show

ATOM        28
            1   C1z C    22.3300  -16.7300
            2   C1y C    22.6800  -15.3300
            3   O2x O    21.5600  -14.5600
            4   C1y C    20.4400  -15.4000
            5   C1y C    20.9300  -16.7300
            6   N5x N    26.3200  -14.6300
            7   C8y C    26.3200  -13.2300
            8   C8x C    25.1300  -12.5300
            9   C8x C    23.8700  -13.2300
            10  N4y N    23.8700  -14.6300
            11  C8y C    25.1300  -15.3300
            12  O5x O    25.1300  -16.7300
            13  N1a N    27.5100  -12.5300
            14  C1b C    19.2500  -14.7000
            15  O7a O    18.0600  -15.4000
            16  C7a C    16.8700  -14.7000
            17  C1c C    15.6800  -15.4000
            18  O6a O    16.8700  -13.3000
            19  C1a C    14.4900  -14.7000
            20  C1a C    15.6800  -16.8000
            21  O7a O    19.7400  -17.4300
            22  C7a C    19.7400  -18.8300
            23  C1c C    18.5500  -19.5300
            24  O6a O    20.9300  -19.5300
            25  C1a C    17.3600  -18.8300
            26  C1a C    18.5500  -20.9300
            27  X   F    23.7300  -16.7300
            28  C1a C    22.3300  -18.1300
BOND        29
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 1
            11    6  11 1
            12    2  10 1 #Up
            13   11  12 2
            14    7  13 1
            15    4  14 1 #Up
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   16  18 2
            20   17  19 1
            21   17  20 1
            22    5  21 1 #Down
            23   21  22 1
            24   22  23 1
            25   22  24 2
            26   23  25 1
            27   23  26 1
            28    1  27 1 #Down
            29    1  28 1 #Up

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