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
679.8493
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
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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Ontology (8)   
   KEGG BRITE (8)   
Disease (1)   
   KEGG DISEASE (1)   
Drug (7)   
   KEGG DGROUP (6)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
Gene (2)   
   KEGG ORTHOLOGY (2)   
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