KEGG   DRUG: Efavirenz
Entry
D00896                      Drug                                   

Name
Efavirenz (JAN/USP/INN);
Sustiva (TN)
  Abbr
EFV
Product
  Generic
Formula
C14H9ClF3NO2
Exact mass
315.0274
Mol weight
315.675
Structure
Simcomp
Class
Antiviral
 DG01889  Non-nucleoside reverse transcriptase inhibitor (NNRTI)
 DG03107  Anti-HIV agent
  DG01656  HIV reverse transcriptase inhibitor
Metabolizing enzyme substrate
 DG02919  CYP2B6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Metabolizing enzyme inducer
 DG02891  CYP2B6 inducer
 DG02853  CYP3A/CYP3A4 inducer
  DG01635  CYP3A4 inducer
Remark
Same as: C08088
Therapeutic category: 6250
ATC code: J05AG03
Product: D00896<JP/US>
Product (mixture): D10851<US> D11392<US>
Efficacy
Antiviral, Reverse transcriptase inhibitor
  Disease
HIV-1 infection [DS:H01563]
Target
HIV-1 reverse transcriptase [KO:K24802]
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2B6 [HSA:1555]
Interaction
CYP induction: CYP2B6 [HSA:1555], CYP3A4 [HSA:1576]
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
     J05AG03 Efavirenz
      D00896  Efavirenz (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Non-nucleoside Reverse Transcriptase Inhibitors (NNRTI)
   Efavirenz
    D00896  Efavirenz (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D00896  Efavirenz (JAN/USP/INN)
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HIV reverse transcriptase inhibitor
    D00896  Efavirenz (JAN/USP/INN) <JP/US>
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Genome replication inhibitor
   HIV reverse transcriptase inhibitor
    D00896  Efavirenz (JAN/USP/INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00896
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00896
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00896
Other DBs
CAS: 154598-52-4
PubChem: 7847960
ChEBI: 119486
ChEMBL: CHEMBL223228
DrugBank: DB00625
PDB-CCD: EFZ[PDBj]
LigandBox: D00896
NIKKAJI: J727.577C
LinkDB
KCF data

ATOM        21
            1   C1z C    22.0907  -17.8033
            2   C8y C    20.8724  -18.4968
            3   C3b C    23.0815  -16.8124
            4   O7x O    23.3087  -18.5085
            5   C1d C    20.8724  -17.1096
            6   C8y C    20.8724  -19.8957
            7   C8x C    19.6776  -17.7974
            8   C3b C    24.0607  -15.8216
            9   C7x C    23.2970  -19.9074
            10  X   F    19.4676  -17.1039
            11  X   F    20.4935  -15.7516
            12  X   F    21.8457  -16.1130
            13  N1x N    22.0790  -20.6069
            14  C8x C    19.6776  -20.6009
            15  C8y C    18.4534  -18.4968
            16  C1y C    25.0457  -14.8248
            17  O6a O    24.5036  -20.6126
            18  C8x C    18.4534  -19.8957
            19  X   Cl   17.2352  -17.7974
            20  C1x C    26.3922  -14.4634
            21  C1x C    25.3954  -13.4783
BOND        23
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 3
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 2
            15    8  16 1
            16    9  17 2
            17   14  18 2
            18   15  19 1
            19   16  20 1
            20   16  21 1
            21    9  13 1
            22   15  18 1
            23   20  21 1

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