KEGG   DRUG: Telaprevir
Entry
D09012                      Drug                                   
Name
Telaprevir (JAN/USAN/INN);
Incivek (TN);
Incivo (TN)
  Abbr
TVR
Formula
C36H53N7O6
Exact mass
679.4057
Mol weight
679.85
Structure
Class
Antiviral
 DG03198  Anti-HCV agent
  DG02001  HCV NS3/4A protease inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
  DG01522  CYP3A4 inhibitor
 DG01915  CYP3A5 inhibitor
Transporter inhibitor
 DG01622  ABCB1 inhibitor
 DG02865  SLCO1B1 inhibitor
Remark
ATC code: J05AP02
Efficacy
Antiviral, Protease inhibitor
Comment
Treatment of hepatitis
Target
HCV NS3/4A protease [KO:K22273 K22274]
  Pathway
ko03230  Viral genome structure
ko03240  Viral replication
ko05160  Hepatitis C
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577]
Transporter inhibition: ABCB1 [HSA:5243], SLCO1B1 [HSA:10599]
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
     J05AP02 Telaprevir
      D09012  Telaprevir (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antiviral
  DG03198  Anti-HCV agent
   DG02001  HCV NS3/4A protease inhibitor
    D09012  Telaprevir
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D09012  Telaprevir
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    D09012  Telaprevir
  DG01915  CYP3A5 inhibitor
   D09012  Telaprevir
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   D09012  Telaprevir
  DG02865  SLCO1B1 inhibitor
   D09012  Telaprevir
Antimicrobials [BR:br08307]
 Antivirals
  Polyprotein cleavage inhibitor
   HCV NS3/4A inhibitor
    D09012  Telaprevir (JAN/USAN/INN)
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Polyprotein cleavage inhibitor
   HCV NS3/4A inhibitor
    D09012  Telaprevir (JAN/USAN/INN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09012
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09012
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09012
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09012
 Drug transporters
  D09012
Other DBs
CAS: 402957-28-2
PubChem: 96025695
ChEBI: 68595
LigandBox: D09012
LinkDB
KCF data

ATOM        49
            1   N1b N     7.1400  -23.8700
            2   C5a C     5.9500  -23.1700
            3   C8y C     4.7600  -23.8000
            4   C1c C     8.4000  -23.1000
            5   C1y C    12.5300  -19.4600
            6   C1x C    12.1100  -20.8600
            7   N1y N    13.3000  -21.6300
            8   C1y C    14.4200  -20.7900
            9   C1y C    13.9300  -19.4600
            10  C5a C    13.3000  -23.1000
            11  O5a O    14.4900  -23.7300
            12  C1c C    12.0400  -23.8000
            13  N1b N    10.8500  -23.1000
            14  C5a C     9.5900  -23.8700
            15  C1d C    12.1100  -25.1300
            16  C1a C    12.1100  -26.6700
            17  O5a O     9.5900  -25.2000
            18  C1a C    10.8500  -25.8300
            19  C1a C    13.3000  -25.8300
            20  C1x C    14.3500  -18.1300
            21  C1x C    13.2300  -17.2900
            22  C1x C    12.0400  -18.1300
            23  C1y C     8.4000  -21.7000
            24  O5a O     5.9500  -21.7700
            25  C8x C     3.6400  -23.1700
            26  N5x N     2.3800  -23.8000
            27  C8x C     2.3800  -25.2000
            28  C8x C     3.5700  -25.9000
            29  N5x N     4.7600  -25.2000
            30  C1x C     9.5900  -21.0000
            31  C1x C     9.5900  -19.6000
            32  C1x C     8.4000  -18.9000
            33  C1x C     7.2100  -19.6000
            34  C1x C     7.2100  -21.0000
            35  C5a C    15.6100  -21.4900
            36  N1b N    16.8000  -20.7900
            37  O5a O    15.6100  -22.8900
            38  C1c C    17.9900  -21.4900
            39  C5a C    19.1800  -20.7900
            40  C5a C    20.3700  -21.4900
            41  O5a O    19.1800  -19.3900
            42  C1b C    17.9900  -22.8900
            43  C1b C    19.1800  -23.5900
            44  C1a C    19.1800  -24.9900
            45  N1b N    21.5600  -20.7900
            46  O5a O    20.3700  -22.8900
            47  C1y C    22.7500  -21.4900
            48  C1x C    24.1500  -21.4900
            49  C1x C    23.4500  -22.6800
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   10  11 2
            11   10  12 1
            12   12  13 1
            13   13  14 1
            14   12  15 1 #Down
            15   15  16 1
            16   14  17 2
            17   15  18 1
            18   15  19 1
            19    9  20 1
            20   20  21 1
            21   21  22 1
            22    5  22 1
            23    4  14 1
            24    4  23 1 #Up
            25    2  24 2
            26    3  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31    3  29 1
            32   23  30 1
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   23  34 1
            38    8  35 1 #Up
            39   35  36 1
            40   35  37 2
            41   36  38 1
            42   38  39 1
            43   39  40 1
            44   39  41 2
            45   38  42 1 #Down
            46   42  43 1
            47   43  44 1
            48   40  45 1
            49   40  46 2
            50   45  47 1
            51   47  48 1
            52   48  49 1
            53   49  47 1

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