KEGG   DRUG: EtravirineHelp
Entry
D04112                      Drug                                   

Name
Etravirine (JAN/USAN/INN);
Intelence (TN)
Product
Formula
C20H15BrN6O
Exact mass
434.0491
Mol weight
435.2767
Structure
Mol fileKCF fileDB search
Class
Antiviral
 DG01889  Non-nucleoside reverse transcriptase inhibitor (NNRTI)
 DG01656  HIV reverse transcriptase inhibitor
Enzyme substrate
 DG01642  CYP2C9 substrate
 DG01639  CYP2C19 substrate
 DG01633  CYP3A substrate
Enzyme inhibitor
 DG01643  CYP2C9 inhibitor
 DG01933  CYP2C19 inhibitor
Enzyme inducer
 DG02853  CYP3A inducer
  DG01635  CYP3A4 inducer
 DG01635  CYP3A4 inducer
 DG01897  CYP3A5 inducer
Transporter inhibitor
 DG01622  ABCB1 (P-GP) inhibitor
Remark
Therapeutic category: 6250
ATC code: J05AG04
Product: D04112<JP/US>
Efficacy
Antiviral, Reverse transcriptase inhibitor
  Disease
HIV-1 infection [DS:H01563]
Target
RNA-directed DNA polymerase
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]
Drug interaction
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) <JP/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)
Antiinfectives [br08350.html]
 Antivirals
  D04112
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  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
BRITE hierarchy
Other DBs
CAS: 269055-15-4
PubChem: 47206062
ChEBI: 63589
ChEMBL: CHEMBL308954
PDB-CCD: 65B[PDBj]
LigandBox: D04112
LinkDB All DBs
KCF data Show

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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