KEGG   DRUG: Nelfinavir mesylateHelp
Entry
D00899                      Drug                                   

Name
Nelfinavir mesylate (USAN/INN);
Nelfinavir mesilate (JAN);
Viracept (TN)
Product
Formula
C32H45N3O4S. CH4SO3
Exact mass
663.3012
Mol weight
663.8881
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antiviral
 DG01647  HIV protease inhibitor
Cyp substrate
 DG01642  CYP2C9 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A4 substrate
Cyp inhibitor
 DG01522  CYP3A4 inhibitor
Remark
Same as: 
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Antiviral, HIV protease inhibitor
  Disease
HIV infection [DS:H01563]
Target
HIV protease [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
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
      D00899  Nelfinavir mesylate (USAN/INN)
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Protease Inhibitors
   Nelfinavir
    D00899  Nelfinavir mesylate (USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D00899  Nelfinavir mesylate (USAN/INN); Nelfinavir mesilate (JAN)
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agents
   Protease inhibitor (PIs)
    Nonpeptidic
     Nelfinavir
      D00899  Nelfinavir mesylate (USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP3A
   Nelfinavir
    D00899  Nelfinavir mesylate (USAN/INN)
 CYP substrates
  CYP2C9
   Nelfinavir
    D00899  Nelfinavir mesylate (USAN/INN)
  CYP2C19
   Nelfinavir
    D00899  Nelfinavir mesylate (USAN/INN)
  CYP2D6
   Nelfinavir
    D00899  Nelfinavir mesylate (USAN/INN)
  CYP3A4
   Nelfinavir
    D00899  Nelfinavir mesylate (USAN/INN)
 Transporter inhibitors
  ABCB1
   Nelfinavir
    D00899  Nelfinavir mesylate (USAN/INN)
Antivirals [br08351.html]
 D00899
BRITE hierarchy
Other DBs
CAS: 
159989-65-8
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        45
            1   S4a S    32.5084  -22.9122
            2   C1a C    31.1071  -22.9122
            3   O1d O    33.9097  -22.9122
            4   O1d O    32.5084  -24.3135
            5   O1d O    32.5084  -21.5110
            6   O1a O    12.4700  -21.1606
            7   C8y C    13.6835  -21.8613
            8   C8y C    14.8971  -21.1606
            9   C8y C    16.1106  -21.8613
            10  C5a C    17.3242  -21.1606
            11  N1b N    18.5378  -21.8613
            12  C1c C    19.7513  -21.1606
            13  C1c C    20.9648  -21.8613
            14  C1b C    22.1784  -21.1606
            15  N1y N    23.3919  -21.8613
            16  C1y C    24.6056  -21.1606
            17  C1x C    25.8191  -21.8613
            18  C8x C    13.6835  -23.2626
            19  C8x C    14.8971  -23.9632
            20  C8x C    16.1106  -23.2626
            21  O5a O    17.3242  -19.7594
            22  C1b C    19.7513  -19.7593
            23  S2a S    20.9689  -19.0564
            24  C8y C    20.9689  -17.6576
            25  C8x C    22.1666  -16.9660
            26  C8x C    22.1665  -15.5647
            27  C8x C    20.9529  -14.8641
            28  C8x C    19.7552  -15.5558
            29  C8x C    19.7553  -16.9571
            30  O1a O    20.9648  -23.2625
            31  C5a C    24.6056  -19.7594
            32  O5a O    23.3812  -19.0525
            33  N1b N    25.8083  -19.0650
            34  C1d C    26.9996  -19.7528
            35  C1a C    28.2131  -20.4535
            36  C1a C    27.7002  -18.5393
            37  C1a C    26.2989  -20.9664
            38  C1x C    23.3919  -23.2626
            39  C1y C    24.6056  -23.9632
            40  C1y C    25.8191  -23.2626
            41  C1x C    24.6056  -25.3645
            42  C1x C    25.8191  -26.0651
            43  C1x C    27.0326  -25.3645
            44  C1x C    27.0326  -23.9632
            45  C1a C    14.8971  -19.7595
BOND        47
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     1   5 2
            5     6   7 1
            6     7   8 1
            7     8   9 2
            8     9  10 1
            9    10  11 1
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   16  17 1
            16    7  18 2
            17   18  19 1
            18   19  20 2
            19   20   9 1
            20   10  21 2
            21   12  22 1 #Up
            22   22  23 1
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 2
            29   24  29 1
            30   13  30 1 #Up
            31   16  31 1 #Down
            32   31  32 2
            33   31  33 1
            34   33  34 1
            35   34  35 1
            36   34  36 1
            37   34  37 1
            38   15  38 1
            39   38  39 1
            40   39  40 1
            41   17  40 1
            42   39  41 1
            43   41  42 1
            44   42  43 1
            45   43  44 1
            46   40  44 1
            47    8  45 1

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