KEGG   DRUG: Ritonavir
Entry
D00427                      Drug                                   
Name
Ritonavir (JAN/USP/INN);
Norvir (TN)
  Abbr
RTV, r
Product
  Generic
Formula
C37H48N6O5S2
Exact mass
720.3128
Mol weight
720.9442
Structure
Simcomp
Class
Antiviral
 DG03107  Anti-HIV agent
  DG01647  HIV protease inhibitor
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Metabolizing enzyme inducer
 DG01637  CYP1A2 inducer
 DG02886  CYP2C9 inducer
 DG02885  CYP2C19 inducer
Remark
Same as: C07240
Therapeutic category: 6250
ATC code: J05AE03
Product: D00427<JP/US>
Product (mixture): D02498<JP/US> D12269<JP/US>
Efficacy
Antiviral, HIV protease inhibitor
  Disease
HIV-1 infection [DS:H01563]
Target
HIV protease [KO:K22599]
  Pathway
ko03230  Viral genome structure
ko03250  Viral life cycle - HIV-1
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551], CYP2D6 [HSA:1565]
Interaction
CYP induction: CYP1A2 [HSA:1544], CYP2C9 [HSA:1559], CYP2C19 [HSA:1557]
CYP inhibition: CYP3A [HSA:1576 1577 1551]
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
     J05AE03 Ritonavir
      D00427  Ritonavir (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Protease Inhibitors (PI)
   Ritonavir
    D00427  Ritonavir (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D00427  Ritonavir (JAN/USP/INN)
Drug groups [BR:br08330]
 Antiviral
  DG03107  Anti-HIV agent
   DG01647  HIV protease inhibitor
    D00427  Ritonavir
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   D00427  Ritonavir
  DG01633  CYP3A/CYP3A4 substrate
   D00427  Ritonavir
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   D00427  Ritonavir
 Metabolizing enzyme inducer
  DG01637  CYP1A2 inducer
   D00427  Ritonavir
  DG02886  CYP2C9 inducer
   D00427  Ritonavir
  DG02885  CYP2C19 inducer
   D00427  Ritonavir
Drug classes [BR:br08332]
 Antiviral
  DG03107  Anti-HIV agent
   D00427  Ritonavir
Antimicrobials [BR:br08307]
 Antivirals
  Polyprotein cleavage inhibitor
   HIV protease inhibitor
    D00427  Ritonavir (JAN/USP/INN) <JP/US>
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Polyprotein cleavage inhibitor
   HIV protease inhibitor
    D00427  Ritonavir (JAN/USP/INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00427
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00427
Other DBs
CAS: 155213-67-5
PubChem: 7847493
ChEBI: 45409
PDB-CCD: RIT[PDBj]
LigandBox: D00427
NIKKAJI: J659.314C
KCF data

ATOM        50
            1   C1c C    33.1164  -17.1963
            2   C1b C    33.1237  -18.5903
            3   C1b C    34.3298  -16.5030
            4   N1b N    31.9103  -16.5103
            5   C8y C    34.1059  -19.5798
            6   C1c C    35.5358  -17.1892
            7   C5a C    30.7041  -17.2037
            8   C8x C    33.3982  -20.7786
            9   C8x C    35.4926  -19.5868
            10  C1c C    36.7348  -16.4960
            11  O1a O    35.5431  -18.5831
            12  C1c C    29.4983  -16.5175
            13  O5a O    30.7041  -18.5975
            14  C8x C    34.0915  -21.9846
            15  C8x C    36.1859  -20.7931
            16  C1b C    36.7348  -15.0948
            17  N1b N    37.9408  -17.1819
            18  N1b N    28.2849  -17.2108
            19  C1c C    29.4909  -14.6983
            20  C8x C    35.4782  -21.9919
            21  C8y C    35.5212  -14.3942
            22  C7a C    39.1540  -16.4886
            23  C5a C    27.0787  -16.5247
            24  C1a C    30.7041  -13.9977
            25  C1a C    28.2776  -13.9977
            26  C8x C    35.5212  -13.0004
            27  C8x C    34.3225  -15.1019
            28  O7a O    40.3603  -17.1748
            29  O6a O    39.1465  -15.0875
            30  N1c N    25.8799  -17.2181
            31  O5a O    27.0787  -15.1237
            32  C8x C    34.3153  -12.3071
            33  C8x C    33.1092  -14.4013
            34  C1b C    41.5663  -16.4815
            35  C1b C    24.6737  -16.5321
            36  C1a C    25.8799  -18.6120
            37  C8x C    33.1092  -13.0075
            38  C8y C    42.7723  -17.1675
            39  C8y C    23.4604  -17.2252
            40  C8x C    42.7653  -18.5615
            41  S2x S    44.1013  -16.7485
            42  N5x N    22.1171  -16.8642
            43  C8x C    23.4626  -18.6191
            44  N5x N    44.0868  -18.9947
            45  C8x C    44.9100  -17.8754
            46  C8y C    21.3445  -18.0341
            47  S2x S    22.2256  -19.1175
            48  C1c C    19.9506  -18.0296
            49  C1a C    19.1994  -16.8594
            50  C1a C    19.3149  -19.2789
BOND        53
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 2
            8     5   9 1
            9     6  10 1
            10    6  11 1 #Up
            11    7  12 1
            12    7  13 2
            13    8  14 1
            14    9  15 2
            15   10  16 1 #Down
            16   10  17 1
            17   12  18 1
            18   12  19 1 #Up
            19   14  20 2
            20   16  21 1
            21   17  22 1
            22   18  23 1
            23   19  24 1
            24   19  25 1
            25   21  26 2
            26   21  27 1
            27   22  28 1
            28   22  29 2
            29   23  30 1
            30   23  31 2
            31   26  32 1
            32   27  33 2
            33   28  34 1
            34   30  35 1
            35   30  36 1
            36   32  37 2
            37   34  38 1
            38   35  39 1
            39   38  40 2
            40   38  41 1
            41   39  42 1
            42   39  43 2
            43   40  44 1
            44   41  45 1
            45   42  46 2
            46   43  47 1
            47   46  48 1
            48   48  49 1
            49   48  50 1
            50   15  20 1
            51   33  37 1
            52   44  45 2
            53   46  47 1

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