KEGG   DRUG: Etravirine
Entry
D04112                      Drug                                   
Name
Etravirine (JAN/USAN/INN);
Intelence (TN)
  Abbr
ETR
Product
INTELENCE (Janssen Products LP)
  Generic
ETRAVIRINE (Amneal Pharmaceuticals NY LLC), ETRAVIRINE (Amneal Pharmaceuticals NY LLC), ETRAVIRINE (AvKARE), ETRAVIRINE (Carnegie Pharmaceuticals LLC), ETRAVIRINE (Leading Pharma)
Formula
C20H15BrN6O
Exact mass
434.0491
Mol weight
435.28
Structure
Class
Antiviral
 DG01889  Non-nucleoside reverse transcriptase inhibitor (NNRTI)
 DG03107  Anti-HIV agent
  DG01656  HIV reverse transcriptase inhibitor
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
 DG01639  CYP2C19 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG01643  CYP2C9 inhibitor
 DG01933  CYP2C19 inhibitor
Metabolizing enzyme inducer
 DG02853  CYP3A/CYP3A4 inducer
  DG01635  CYP3A4 inducer
Transporter inhibitor
 DG01622  ABCB1 inhibitor
Remark
Therapeutic category: 6250
ATC code: J05AG04
Product: D04112<US>
Efficacy
Antiviral, Reverse transcriptase inhibitor
  Disease
HIV-1 infection [DS:H01563]
Target
HIV-1 reverse transcriptase [KO:K24802]
  Pathway
ko03230  Viral genome structure
ko03240  Viral replication
ko03250  Viral life cycle - HIV-1
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2C9 [HSA:1559], CYP2C19 [HSA:1557]
Interaction
CYP inhibition: CYP2C9 [HSA:1559], CYP2C19 [HSA:1557]
CYP induction: CYP3A4 [HSA:1576]
Transporter inhibition: ABCB1 [HSA:5243]
Structure map
map07053  Anti-HIV agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AG Non-nucleoside reverse transcriptase inhibitors
     J05AG04 Etravirine
      D04112  Etravirine (JAN/USAN/INN) <US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Non-nucleoside Reverse Transcriptase Inhibitors (NNRTI)
   Etravirine
    D04112  Etravirine (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D04112  Etravirine (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antiviral
  DG01889  Non-nucleoside reverse transcriptase inhibitor (NNRTI)
   D04112  Etravirine
  DG03107  Anti-HIV agent
   DG01656  HIV reverse transcriptase inhibitor
    D04112  Etravirine
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   D04112  Etravirine
  DG01639  CYP2C19 substrate
   D04112  Etravirine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D04112  Etravirine
 Metabolizing enzyme inhibitor
  DG01643  CYP2C9 inhibitor
   D04112  Etravirine
  DG01933  CYP2C19 inhibitor
   D04112  Etravirine
 Metabolizing enzyme inducer
  DG02853  CYP3A/CYP3A4 inducer
   DG01635  CYP3A4 inducer
    D04112  Etravirine
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   D04112  Etravirine
Drug classes [BR:br08332]
 Antiviral
  DG03107  Anti-HIV agent
   D04112  Etravirine
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HIV reverse transcriptase inhibitor
    D04112  Etravirine (JAN/USAN/INN) <US>
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Genome replication inhibitor
   HIV reverse transcriptase inhibitor
    D04112  Etravirine (JAN/USAN/INN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D04112
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D04112
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D04112
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D04112
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D04112
 Drug transporters
  D04112
Other DBs
CAS: 269055-15-4
PubChem: 47206062
ChEBI: 63589
PDB-CCD: 65B[PDBj]
LigandBox: D04112
LinkDB
KCF data

ATOM        28
            1   O2a O    26.3574  -14.2326
            2   C8y C    28.2546  -13.5413
            3   N5x N    29.4434  -14.2276
            4   C8y C    30.6574  -13.5268
            5   N5x N    30.6575  -12.1249
            6   C8y C    29.4687  -11.4385
            7   C8y C    28.2547  -12.1394
            8   X   Br   27.0154  -11.4238
            9   N1a N    29.4686  -10.0270
            10  N1b N    31.8902  -14.2386
            11  C8y C    33.0928  -13.5444
            12  C8x C    34.2788  -14.2292
            13  C8x C    35.4928  -13.5284
            14  C8y C    35.4929  -12.1265
            15  C8x C    34.3069  -11.4416
            16  C8x C    33.0929  -12.1425
            17  C3b C    36.7229  -11.4163
            18  N3a N    37.9369  -10.7154
            19  C8y C    24.4602  -13.5409
            20  C8y C    24.4613  -12.1104
            21  C8x C    23.2494  -11.4094
            22  C8y C    22.0364  -12.1085
            23  C8x C    22.0354  -13.5391
            24  C8y C    23.2473  -14.2400
            25  C3b C    20.8354  -11.4138
            26  N3a N    19.6229  -10.7138
            27  C1a C    23.2461  -15.6100
            28  C1a C    25.6507  -11.4246
BOND        30
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     2   7 1
            8     7   8 1
            9     6   9 1
            10    4  10 1
            11   10  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 3
            20    1  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   22  25 1
            28   25  26 3
            29   24  27 1
            30   20  28 1

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