KEGG   DRUG: EfavirenzHelp
Entry
D00896                      Drug                                   

Name
Efavirenz (JAN/INN);
Sustiva (TN)
Product
  Generic
Formula
C14H9ClF3NO2
Exact mass
315.0274
Mol weight
315.675
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antiviral
 DG01889  Non-nucleoside reverse transcriptase inhibitor (NNRTI)
 DG01656  HIV reverse transcriptase inhibitor
Enzyme substrate
 DG01633  CYP3A substrate
Enzyme inhibitor
 DG01643  CYP2C9 inhibitor
 DG01933  CYP2C19 inhibitor
Enzyme inducer
 DG02891  CYP2B6 inducer
 DG02853  CYP3A inducer
  DG01635  CYP3A4 inducer
 DG01635  CYP3A4 inducer
 DG01897  CYP3A5 inducer
Remark
Same as: C08088
Therapeutic category: 6250
ATC code: J05AG03
Product: D00896<JP/US>
Product (mixture): D10851<US>
Efficacy
Antiviral, Reverse transcriptase inhibitor
  Disease
HIV-1 infection [DS:H01563]
Target
RNA-directed DNA polymerase
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2B6 [HSA:1555]
Interaction
CYP induction: CYP2B6 [HSA:1555], CYP3A4 [HSA:1576]
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
     J05AG03 Efavirenz
      D00896  Efavirenz (JAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Non-nucleoside Reverse Transcriptase Inhibitors (NNRTI)
   Efavirenz
    D00896  Efavirenz (JAN/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/INN)
Antiinfectives [br08350.html]
 Antivirals
  D00896
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00896
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and germline mutations
  D00896
BRITE hierarchy
Other DBs
CAS: 154598-52-4
PubChem: 7847960
ChEBI: 119486
ChEMBL: CHEMBL223228
DrugBank: DB00625
PDB-CCD: EFZ[PDBj]
LigandBox: D00896
NIKKAJI: J727.577C
LinkDB All DBs
KCF data Show

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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