KEGG   DRUG: D08259Help
Entry
D08259                      Drug                                   

Name
Nelfinavir (INN);
Viracept (TN)
Formula
C32H45N3O4S
Exact mass
567.3131
Mol weight
567.7824
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiviral, HIV protease inihibitor [DS:H00406]
Remark
Same as: 
ATC code: 
Drug group: 
Target
HIV protease inhibitor [CPD:C19849]
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2C19 [HSA:1557], CYP2E1 [HSA:1571], CYP2D6 [HSA:1565], CYP2C9 [HSA:1559]
Interaction
Genomic biomarker: CYP2C19 [HSA:1557]
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Transporter inhibition: ABCB1 [HSA:5243]
Drug interaction
Structure map
Anti-HIV agents
HIV protease inhibitors
Other map
Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AE Protease inhibitors
     J05AE04 Nelfinavir
      D08259  Nelfinavir (INN)
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Protease Inhibitors
   Nelfinavir
    D08259  Nelfinavir (INN)
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agent
   Protease inhibitor (PIs)
    Nonpeptidic
     Nelfinavir
      D08259  Nelfinavir (INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2C9
   Nelfinavir
    D08259  Nelfinavir (INN)
  CYP2C19
   Nelfinavir
    D08259  Nelfinavir (INN)
  CYP2D6
   Nelfinavir
    D08259  Nelfinavir (INN)
  CYP3A4
   Nelfinavir
    D08259  Nelfinavir (INN)
 Inhbitors
  CYP3A
   Nelfinavir
    D08259  Nelfinavir (INN)
BRITE hierarchy
Other DBs
CAS: 
159989-64-7
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        40
            1   O1a O    16.3100  -18.6200
            2   C8y C    17.5000  -19.3200
            3   C8y C    18.7600  -18.6200
            4   C8y C    19.9500  -19.3200
            5   C5a C    21.2100  -18.6200
            6   N1b N    22.4000  -19.3200
            7   C1c C    23.5900  -18.6200
            8   C1c C    24.8500  -19.3200
            9   C1b C    26.0400  -18.6200
            10  N1y N    27.2300  -19.3200
            11  C1y C    28.4900  -18.6200
            12  C1x C    29.6800  -19.3200
            13  C8x C    17.5000  -20.7200
            14  C8x C    18.7600  -21.4200
            15  C8x C    19.9500  -20.7200
            16  O5a O    21.2100  -17.2200
            17  C1b C    23.5900  -17.2200
            18  S2a S    24.8500  -16.5200
            19  C8y C    24.8500  -15.1200
            20  C8x C    26.0400  -14.4200
            21  C8x C    26.0400  -13.0200
            22  C8x C    24.7800  -12.3200
            23  C8x C    23.5900  -13.0200
            24  C8x C    23.5900  -14.4200
            25  O1a O    24.8500  -20.7200
            26  C5a C    28.4900  -17.2200
            27  O5a O    27.2300  -16.5200
            28  N1b N    29.6800  -16.5200
            29  C1d C    30.8700  -17.2200
            30  C1a C    32.0600  -17.9200
            31  C1a C    31.5700  -16.0300
            32  C1a C    30.1700  -18.4800
            33  C1x C    27.2300  -20.7200
            34  C1y C    28.4900  -21.4200
            35  C1y C    29.6800  -20.7200
            36  C1x C    28.4900  -22.8200
            37  C1x C    29.6800  -23.5200
            38  C1x C    30.8700  -22.8200
            39  C1x C    30.8700  -21.4200
            40  C1a C    18.7600  -17.2200
BOND        43
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    2  13 2
            13   13  14 1
            14   14  15 2
            15   15   4 1
            16    5  16 2
            17    7  17 1 #Up
            18   17  18 1
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   19  24 1
            26    8  25 1 #Up
            27   11  26 1 #Down
            28   26  27 2
            29   26  28 1
            30   28  29 1
            31   29  30 1
            32   29  31 1
            33   29  32 1
            34   10  33 1
            35   33  34 1
            36   34  35 1
            37   12  35 1
            38   34  36 1
            39   36  37 1
            40   37  38 1
            41   38  39 1
            42   35  39 1
            43    3  40 1

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