KEGG   DRUG: Nelfinavir
Entry
D08259                      Drug                                   

Name
Nelfinavir (INN);
Viracept (TN)
Formula
C32H45N3O4S
Exact mass
567.3131
Mol weight
567.7824
Structure
Simcomp
Class
Antiviral
 DG01647  HIV protease inhibitor
Metabolizing enzyme substrate
 DG01639  CYP2C19 substrate
 DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG01522  CYP3A4 inhibitor
Remark
Same as: C07257
ATC code: J05AE04
Chemical structure group: DG00655
Product (DG00655): D00899<US>
Efficacy
Antiviral, HIV protease inhibitor
Target
HIV protease [KO:K22599]
Metabolism
Enzyme: CYP3A4 [HSA:1576]; CYP2C19 [HSA:1557]
Interaction
CYP inhibition: CYP3A4 [HSA:1576]
Structure map
map07053  Anti-HIV agents
map07218  HIV protease inhibitors
Other map
map04976  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)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08259
Other DBs
CAS: 159989-64-7
PubChem: 96024947
ChEBI: 7496
ChEMBL: CHEMBL584
DrugBank: DB00220
PDB-CCD: 1UN[PDBj]
LigandBox: D08259
NIKKAJI: J709.859F
LinkDB
KCF data

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

» Japanese version   » Back

KEGG   DRUG: Nelfinavir mesylate
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
Simcomp
Class
Antiviral
 DG01647  HIV protease inhibitor
Metabolizing enzyme substrate
 DG01639  CYP2C19 substrate
 DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG01522  CYP3A4 inhibitor
Remark
Same as: C08091
Therapeutic category: 6250
ATC code: J05AE04
Chemical structure group: DG00655
Product (DG00655): D00899<US>
Efficacy
Antiviral, HIV protease inhibitor
  Disease
HIV-1 infection [DS:H01563]
Target
HIV protease [KO:K22599]
Metabolism
Enzyme: CYP3A4 [HSA:1576]; CYP2C19 [HSA:1557]
Interaction
CYP inhibition: CYP3A4 [HSA:1576]
Structure map
map07053  Anti-HIV agents
map07218  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) <US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Protease Inhibitors (PI)
   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)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00899
Other DBs
CAS: 159989-65-8
PubChem: 7847963
ChEBI: 7497
ChEMBL: CHEMBL1205
DrugBank: DB00220
LigandBox: D00899
NIKKAJI: J710.192I
LinkDB
KCF data

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

» Japanese version   » Back

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