KEGG   DRUG: ElbasvirHelp
Entry
D10625                      Drug                                   

Name
Elbasvir (JAN/USAN/INN);
Erelsa (TN)
Formula
C49H55N9O7
Exact mass
881.4224
Mol weight
882.0171
Structure
Mol fileKCF fileDB search
Class
Antiviral
 DG01999  NS5A inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A substrate
Transporter substrate
 DG01665  ABCB1 (P-GP) substrate
Transporter inhibitor
 DG01622  ABCB1 (P-GP) inhibitor
 DG02862  ABCG2 (BCRP) inhibitor
Remark
Therapeutic category: 6250
Product: D10625<JP>
Product (mixture): D10778<US>
Efficacy
Antiviral, NS5A inhibitor
Comment
Treatment of Hepatis C
Target
HCV NS5A [KO:K22275]
  Pathway
ko05160  Hepatitis C
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Transporter: ABCB1 [HSA:5243]
Interaction
Transporter inhibition: ABCG2 [HSA:9429], ABCB1 [HSA:5243]
Drug interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D10625  Elbasvir (JAN/USAN/INN)
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10625
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10625
BRITE hierarchy
Other DBs
CAS: 1370468-36-2
PubChem: 254741586
ChEBI: 132967
LinkDB All DBs
KCF data Show

ATOM        65
            1   C1y C    13.2300  -23.8000
            2   N1y N    11.9000  -24.2200
            3   C1x C    11.9000  -25.6200
            4   C1x C    13.2300  -26.0400
            5   C1x C    14.0700  -24.9200
            6   C8y C    14.9800  -20.5800
            7   C8x C    13.6500  -20.1600
            8   N5x N    12.8100  -21.3500
            9   C8y C    13.6500  -22.4700
            10  N4x N    14.9800  -22.0500
            11  C8y C    16.1000  -19.8800
            12  C8x C    17.2900  -20.5800
            13  C8x C    18.5500  -19.8800
            14  C8y C    18.5500  -18.4800
            15  C8y C    17.3600  -17.7800
            16  C8x C    16.1000  -18.4800
            17  N4y N    19.5300  -17.5700
            18  C8y C    18.9700  -16.3100
            19  C8x C    17.6400  -16.4500
            20  C1y C    20.9300  -17.7100
            21  O2x O    21.7700  -16.5900
            22  C8y C    21.2100  -15.3300
            23  C8y C    19.8100  -15.1200
            24  C8x C    22.0500  -14.1400
            25  C8y C    21.4900  -12.9500
            26  C8x C    20.0900  -12.8100
            27  C8x C    19.2500  -13.8600
            28  C8y C    21.4900  -18.9700
            29  C8x C    22.8900  -19.1100
            30  C8x C    20.7200  -20.0900
            31  C8x C    21.2800  -21.3500
            32  C8x C    22.6800  -21.5600
            33  C8x C    23.4500  -20.3700
            34  C2y C    22.4700  -11.9700
            35  C1x C    23.8700  -12.1800
            36  N2x N    24.5000  -10.9200
            37  C2y C    23.5200   -9.9400
            38  N2x N    22.2600  -10.5700
            39  C1y C    23.8700   -8.6100
            40  N1y N    25.1300   -8.0500
            41  C1x C    25.1300   -6.6500
            42  C1x C    23.7300   -6.3000
            43  C1x C    22.9600   -7.4900
            44  C5a C    10.7100  -23.5200
            45  C1c C     9.5200  -24.2200
            46  O5a O    10.7100  -22.1200
            47  N1b N     8.3300  -23.5200
            48  C1c C     9.5200  -25.6200
            49  C1a C    10.7100  -26.3200
            50  C1a C     8.3300  -26.3200
            51  C7a C     7.1400  -24.2200
            52  O6a O     5.9500  -23.5200
            53  O7a O     7.1400  -25.6200
            54  C1a C     5.9500  -26.3200
            55  C5a C    26.3200   -8.7500
            56  C1c C    27.5100   -8.0500
            57  O5a O    26.3200  -10.1500
            58  N1b N    28.7281   -8.7401
            59  C1c C    27.4986   -6.6500
            60  C1a C    26.2892   -5.9648
            61  C1a C    28.7138   -5.9352
            62  C7a C    29.9095   -8.0450
            63  O6a O    31.1149   -8.7280
            64  O7a O    29.8981   -6.6500
            65  C1a C    31.1083   -5.9603
BOND        73
            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    6  10 1
            11    6  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18   14  17 1
            19   17  18 1
            20   18  19 2
            21   15  19 1
            22   17  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 2
            26   18  23 1
            27   22  24 1
            28   24  25 2
            29   25  26 1
            30   26  27 2
            31   23  27 1
            32   28  29 1
            33   28  30 2
            34   30  31 1
            35   31  32 2
            36   32  33 1
            37   29  33 2
            38   20  28 1 #Up
            39   25  34 1
            40   34  35 1
            41   35  36 1
            42   36  37 2
            43   37  38 1
            44   34  38 2
            45    1   9 1 #Down
            46   39  40 1
            47   40  41 1
            48   41  42 1
            49   42  43 1
            50   39  43 1
            51   39  37 1 #Down
            52   44   2 1
            53   44  45 1
            54   44  46 2
            55   45  47 1 #Down
            56   45  48 1
            57   48  49 1
            58   48  50 1
            59   47  51 1
            60   51  52 2
            61   51  53 1
            62   53  54 1
            63   40  55 1
            64   55  56 1
            65   55  57 2
            66   56  58 1 #Down
            67   56  59 1
            68   59  60 1
            69   59  61 1
            70   58  62 1
            71   62  63 2
            72   62  64 1
            73   64  65 1

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