KEGG   DRUG: Elbasvir
Entry
D10625                      Drug                                   

Name
Elbasvir (JAN/USAN/INN);
Erelsa (TN)
Formula
C49H55N9O7
Exact mass
881.4224
Mol weight
882.0171
Structure
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
ATC code: J05AP10
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]
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
     J05AP10 Elbasvir
      D10625  Elbasvir (JAN/USAN/INN) <JP>
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
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10625
 Drug transporters
  D10625
Other DBs
CAS: 1370468-36-2
PubChem: 254741586
ChEBI: 132967
LinkDB
KCF data

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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