KEGG   DRUG: IndinavirHelp
Entry
D03833                      Drug                                   

Name
Indinavir (USAN);
Indinavir hydrate
Formula
C36H47N5O4. H2O
Exact mass
631.3734
Mol weight
631.8048
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antiviral
 DG01647  HIV protease inhibitor
Cyp substrate
 DG01633  CYP3A4 substrate
Cyp inhibitor
 DG01522  CYP3A4 inhibitor
 DG01915  CYP3A5 inhibitor
Remark
ATC code: 
Chemical group: 
Activity
Antiviral, HIV protease inhibitor
Target
HIV protease [CPD:C19849]
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551]
Interaction
CYP inhibition: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551]
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
     J05AE02 Indinavir
      D03833  Indinavir (USAN)
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Protease Inhibitors
   Indinavir
    D03833  Indinavir (USAN)
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agents
   Protease inhibitor (PIs)
    Peptidic
     Indinavir
      D03833  Indinavir (USAN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP3A
   Indinavir
    D03833  Indinavir (USAN)
 CYP substrates
  CYP3A4
   Indinavir
    D03833  Indinavir (USAN)
  CYP3A5
   Indinavir
    D03833  Indinavir (USAN)
  CYP3A7
   Indinavir
    D03833  Indinavir (USAN)
  CYP3A
   Indinavir
    D03833  Indinavir (USAN)
BRITE hierarchy
Other DBs
CAS: 
180683-37-8
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        46
            1   C8y C    15.6800  -19.3200
            2   C1y C    16.7300  -18.4100
            3   C8y C    14.4200  -18.6200
            4   C8x C    15.6800  -20.7200
            5   C1y C    16.1700  -17.0800
            6   N1b N    17.9200  -19.1100
            7   C1x C    14.7700  -17.2200
            8   C8x C    13.2300  -19.3200
            9   C8x C    14.4200  -21.4200
            10  O1a O    16.8700  -15.8900
            11  C5a C    19.2500  -18.3400
            12  C8x C    13.2300  -20.7200
            13  C1c C    20.4400  -19.0400
            14  O5a O    19.2500  -16.9400
            15  C1b C    20.4400  -20.4400
            16  C1b C    21.6300  -18.3400
            17  C8y C    19.2500  -21.1400
            18  C1c C    22.9600  -19.0400
            19  C8x C    19.2500  -22.5400
            20  C8x C    18.0600  -20.4400
            21  C1b C    24.1500  -18.3400
            22  O1a O    22.9600  -20.4400
            23  C8x C    17.9900  -23.2400
            24  C8x C    16.8000  -21.1400
            25  N1y N    25.3400  -19.0400
            26  C8x C    16.8000  -22.5400
            27  C1y C    26.6000  -18.3400
            28  C1x C    25.3400  -20.4400
            29  C1x C    27.7900  -19.0400
            30  C5a C    26.6000  -16.9400
            31  C1x C    26.6000  -21.1400
            32  N1y N    27.7900  -20.4400
            33  N1b N    27.7900  -16.2400
            34  O5a O    25.3400  -16.2400
            35  C1b C    28.9800  -21.1400
            36  C1d C    28.9800  -16.9400
            37  C8y C    30.2400  -20.4400
            38  C1a C    30.3100  -17.7100
            39  C1a C    28.4200  -17.8500
            40  C1a C    29.6800  -15.8200
            41  C8x C    30.2400  -19.0400
            42  C8x C    31.4300  -21.1400
            43  C8x C    31.4300  -18.3400
            44  N5x N    32.6200  -20.4400
            45  C8x C    32.6200  -19.0400
            46  O0  O    37.1000  -19.1100
BOND        49
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1 #Up
            10    6  11 1
            11    8  12 2
            12   11  13 1
            13   11  14 2
            14   13  15 1 #Up
            15   13  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 2
            19   17  20 1
            20   18  21 1
            21   18  22 1 #Up
            22   19  23 1
            23   20  24 2
            24   21  25 1
            25   23  26 2
            26   25  27 1
            27   25  28 1
            28   27  29 1
            29   27  30 1 #Down
            30   28  31 1
            31   29  32 1
            32   30  33 1
            33   30  34 2
            34   32  35 1
            35   33  36 1
            36   35  37 1
            37   36  38 1
            38   36  39 1
            39   36  40 1
            40   37  41 1
            41   37  42 2
            42   41  43 2
            43   42  44 1
            44   43  45 1
            45    5   7 1
            46    9  12 1
            47   24  26 1
            48   31  32 1
            49   44  45 2

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