KEGG   DRUG: D02732Help
Entry
D02732                      Drug                                   

Name
Pranlukast hydrate (JP16);
Onon (TN)
Formula
(C27H23N5O4)2. H2O
Exact mass
980.3606
Mol weight
981.0205
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiasthmatic;
antiinflammatory;
Leukotrien-receptor antagonist [DS:H00079]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Target
cysteinyl leukotriene receptor 1 (CYSLTR1) antagonist [HSA:10800] [KO:K04322];
cysteinyl leukotriene receptor 2 (CYSLTR2) antagonist [HSA:57105] [KO:K04323]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
Eicosanoids
Eicosanoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03D OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
    R03DC Leukotriene receptor antagonists
     R03DC02 Pranlukast
      D02732  Pranlukast hydrate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  44  Allergic agents
   449  Miscellaneous
    4490  Miscellaneous
     D02732  Pranlukast hydrate (JP16)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Cysteinyl leukotriene
    cysteinyl leukotriene receptor 1
     Pranlukast
      D02732  Pranlukast hydrate (JAN)
    cysteinyl leukotriene receptor 2
     Pranlukast
      D02732  Pranlukast hydrate (JAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A4
   Pranlukast
    D02732  Pranlukast hydrate (JAN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02732  Pranlukast hydrate
BRITE hierarchy
Other DBs
CAS: 
150821-03-7
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        73
            1   C8y C    30.1000  -18.4100
            2   C8x C    31.2900  -19.1800
            3   C8x C    32.5500  -18.4100
            4   C8y C    32.5500  -17.0100
            5   C8x C    31.2900  -16.3100
            6   C8x C    30.1000  -17.0100
            7   C5a C    28.9100  -19.1800
            8   N1b N    27.6500  -18.4800
            9   O5a O    28.9100  -20.5800
            10  C8y C    26.4600  -19.1100
            11  C8y C    25.2700  -18.4800
            12  C8y C    24.0800  -19.1800
            13  C8x C    24.0800  -20.5800
            14  C8x C    25.2700  -21.2800
            15  C8x C    26.4600  -20.5100
            16  O2a O    33.7400  -16.3100
            17  C1b C    35.0000  -17.0100
            18  C1b C    36.1900  -16.3100
            19  C1b C    37.3800  -17.0100
            20  C1b C    38.6400  -16.3100
            21  C8y C    39.8300  -17.0100
            22  C8x C    39.8300  -18.4100
            23  C8x C    41.0900  -19.1800
            24  C8x C    42.2800  -18.4100
            25  C8x C    42.2800  -17.0100
            26  C8x C    41.0900  -16.3100
            27  O2x O    25.2700  -17.0800
            28  C8y C    24.0800  -16.3100
            29  C8x C    22.8900  -17.0800
            30  C8y C    22.8900  -18.4800
            31  C8y C    24.0800  -14.9100
            32  N4x N    25.2000  -14.1400
            33  N5x N    24.7800  -12.8100
            34  N5x N    23.3800  -12.8100
            35  N5x N    22.9600  -14.1400
            36  O5x O    21.6300  -19.1800
            37  O0  O    41.0900  -22.6800
            38  C8y C    30.1000  -18.4100
            39  C8x C    31.2900  -19.1800
            40  C8x C    32.5500  -18.4100
            41  C8y C    32.5500  -17.0100
            42  C8x C    31.2900  -16.3100
            43  C8x C    30.1000  -17.0100
            44  O2a O    33.7400  -16.3100
            45  C1b C    35.0000  -17.0100
            46  C1b C    36.1900  -16.3100
            47  C1b C    37.3800  -17.0100
            48  C1b C    38.6400  -16.3100
            49  C8y C    39.8300  -17.0100
            50  C8x C    39.8300  -18.4100
            51  C8x C    41.0900  -19.1800
            52  C8x C    42.2800  -18.4100
            53  C8x C    42.2800  -17.0100
            54  C8x C    41.0900  -16.3100
            55  C5a C    28.9100  -19.1800
            56  N1b N    27.6500  -18.4800
            57  C8y C    26.4600  -19.1100
            58  C8y C    25.2700  -18.4800
            59  C8y C    24.0800  -19.1800
            60  C8x C    24.0800  -20.5800
            61  C8x C    25.2700  -21.2800
            62  C8x C    26.4600  -20.5100
            63  C8y C    22.8900  -18.4800
            64  C8x C    22.8900  -17.0800
            65  C8y C    24.0800  -16.3100
            66  O2x O    25.2700  -17.0800
            67  C8y C    24.0800  -14.9100
            68  N4x N    25.2000  -14.1400
            69  N5x N    24.7800  -12.8100
            70  N5x N    23.3800  -12.8100
            71  N5x N    22.9600  -14.1400
            72  O5x O    21.6300  -19.1800
            73  O5a O    28.9100  -20.5800
BOND        80
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     7   9 2
            10    8  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   10  15 1
            17    4  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   21  26 1
            29   11  27 1
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   12  30 1
            34   28  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 2
            38   34  35 1
            39   31  35 2
            40   30  36 2
            41   38  39 2
            42   39  40 1
            43   40  41 2
            44   41  42 1
            45   42  43 2
            46   38  43 1
            47   38  55 1
            48   55  56 1
            49   55  73 2
            50   56  57 1
            51   57  58 2
            52   58  59 1
            53   59  60 2
            54   60  61 1
            55   61  62 2
            56   57  62 1
            57   41  44 1
            58   44  45 1
            59   45  46 1
            60   46  47 1
            61   47  48 1
            62   48  49 1
            63   49  50 2
            64   50  51 1
            65   51  52 2
            66   52  53 1
            67   53  54 2
            68   49  54 1
            69   58  66 1
            70   66  65 1
            71   65  64 2
            72   64  63 1
            73   59  63 1
            74   65  67 1
            75   67  68 1
            76   68  69 1
            77   69  70 2
            78   70  71 1
            79   67  71 2
            80   63  72 2
BRACKET     1    21.2800  -21.6300   21.2800  -12.4600
            1    42.7000  -12.4600   42.7000  -21.6300
            1  2
 ORIGINAL  1    1   2   3   4   5   6  16  17  18  19  20  21  22  23  24  25
            1   26   7   8  10  11  12  13  14  15  30  29  28  27  31  32  33
            1   34  35  36   9
 REPEAT    1   38  39  40  41  42  43  44  45  46  47  48  49  50  51  52  53
            1   54  55  56  57  58  59  60  61  62  63  64  65  66  67  68  69
            1   70  71  72  73

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