KEGG   DRUG: D09012Help
Entry
D09012                      Drug                                   

Name
Telaprevir (JAN/USAN/INN);
Incivek (TN);
Incivo (TN)
Product
Formula
C36H53N7O6
Exact mass
679.4057
Mol weight
679.8493
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of hepatitis [DS:H00413]
Remark
Therapeutic category: 
ATC code: 
Target
hepatitis C virus NS3/NS4A protease inhibitor [CPD:C18290 C18291]
  Pathway
ko05160  Hepatitis C  
 
Interaction
Genomic biomarker: IL28B [HSA:282617]
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Transporter inhibition: ABCB1 [HSA:5243]
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AE Protease inhibitors
     J05AE11 Telaprevir
      D09012  Telaprevir (JAN/USAN/INN)
USP drug classification [BR:br08302]
 Antivirals
  Anti-hepatitis C (HCV) Agents
   Telaprevir
    D09012  Telaprevir (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D09012  Telaprevir (JAN/USAN/INN)
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HCV agents
   Protease inhibitor (PI)
    NS3/NS4A protease inhibitor
     Telaprevir
      D09012  Telaprevir (JAN/USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 Inhbitors
  CYP3A
   Telaprevir
    D09012  Telaprevir (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
402957-28-2
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        49
            1   N1b N    20.5996  -17.8903
            2   C5a C    19.4195  -17.1960
            3   C8y C    18.2156  -17.8782
            4   C1c C    21.8150  -17.1612
            5   C1y C    25.9418  -13.4951
            6   C1x C    25.5223  -14.8935
            7   N1y N    26.7110  -15.6627
            8   C1y C    27.8297  -14.8236
            9   C1y C    27.3403  -13.4951
            10  C5a C    26.7110  -17.1310
            11  C5a C    29.1583  -15.2431
            12  N1b N    30.1372  -14.3341
            13  C1c C    31.4657  -14.7537
            14  C5a C    32.5146  -13.7748
            15  C5a C    33.8431  -14.1943
            16  N1b N    34.8919  -13.2853
            17  O5a O    34.1927  -15.5927
            18  O5a O    32.2349  -12.4462
            19  O5a O    29.4380  -16.6416
            20  O5a O    27.8997  -17.7603
            21  C1c C    25.4524  -17.8303
            22  N1b N    24.2637  -17.1310
            23  C5a C    23.0051  -17.9002
            24  C1d C    25.5223  -19.1588
            25  C1a C    25.5223  -20.6971
            26  O5a O    23.0051  -19.2287
            27  C1b C    31.8153  -16.0822
            28  C1a C    24.2637  -19.8580
            29  C1a C    26.7110  -19.8580
            30  C1x C    27.7724  -12.1650
            31  C1x C    26.6411  -11.3430
            32  C1x C    25.5097  -12.1650
            33  C1y C    21.8259  -15.7326
            34  O5a O    19.3609  -15.8025
            35  C8x C    17.0456  -17.1902
            36  N5x N    15.8289  -17.8796
            37  C8x C    15.8176  -19.2780
            38  C8x C    16.9875  -19.9661
            39  N5x N    18.2042  -19.2767
            40  C1x C    23.0350  -15.0466
            41  C1x C    23.0457  -13.6483
            42  C1x C    21.8400  -12.9399
            43  C1x C    20.6308  -13.6258
            44  C1x C    20.6201  -15.0242
            45  C1y C    36.1933  -13.7722
            46  C1x C    37.1549  -14.7944
            47  C1x C    37.5507  -13.4538
            48  C1b C    33.1645  -16.4502
            49  C1a C    33.5264  -17.8010
BOND        53
            1     1   2 1
            2     2   3 1
            3     1   4 1
            4     5   6 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     5   9 1
            9     7  10 1
            10    8  11 1 #Up
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   15  17 2
            17   14  18 2
            18   11  19 2
            19   10  20 2
            20   10  21 1
            21   21  22 1
            22   22  23 1
            23   21  24 1 #Down
            24   24  25 1
            25   23  26 2
            26   13  27 1 #Down
            27   24  28 1
            28   24  29 1
            29    9  30 1
            30   30  31 1
            31   31  32 1
            32    5  32 1
            33    4  23 1
            34    4  33 1 #Up
            35    2  34 2
            36    3  35 2
            37   35  36 1
            38   36  37 2
            39   37  38 1
            40   38  39 2
            41    3  39 1
            42   33  40 1
            43   40  41 1
            44   41  42 1
            45   42  43 1
            46   43  44 1
            47   33  44 1
            48   45  46 1
            49   46  47 1
            50   47  45 1
            51   16  45 1
            52   27  48 1
            53   48  49 1

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