KEGG   DRUG: Pranlukast hydrate
Entry
D02732                      Drug                                   

Name
Pranlukast hydrate (JP17);
Onon (TN)
Formula
(C27H23N5O4)2. H2O
Exact mass
980.3606
Mol weight
981.0205
Structure
Class
Anti-allergic agent
 DG01541  Cysteinyl leukotriene receptor antagonist
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
Therapeutic category: 4490
ATC code: R03DC02
Chemical structure group: DG01065
Product (DG01065): D02732<JP>
Efficacy
Antiallergic, Antiasthmatic, Anti-inflammatory, Leukotriene receptor antagonist
Target
CYSLTR1 [HSA:10800] [KO:K04322]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07034  Eicosanoids
map07228  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 (JP17) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  44  Allergic agents
   449  Miscellaneous
    4490  Miscellaneous
     D02732  Pranlukast hydrate (JP17)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Cysteinyl leukotriene
    CYSLTR1
     D02732  Pranlukast hydrate (JP17) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02732  Pranlukast hydrate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02732
Other DBs
CAS: 150821-03-7
PubChem: 17396899
LigandBox: D02732
NIKKAJI: J1.627.638C
KCF data

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

» Japanese version   » Back

KEGG   DRUG: Pranlukast
Entry
D08408                      Drug                                   

Name
Pranlukast (INN);
Azlaire (TN)
Formula
C27H23N5O4
Exact mass
481.175
Mol weight
481.5026
Structure
Class
Anti-allergic agent
 DG01541  Cysteinyl leukotriene receptor antagonist
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
ATC code: R03DC02
Chemical structure group: DG01065
Product (DG01065): D02732<JP>
Efficacy
Antiallergic, Antiasthmatic, Anti-inflammatory, Leukotriene receptor antagonist
Target
CYSLTR1 [HSA:10800] [KO:K04322]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07034  Eicosanoids
map07228  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
      D08408  Pranlukast (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Cysteinyl leukotriene
    CYSLTR1
     D08408  Pranlukast (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08408
Other DBs
CAS: 103177-37-3
PubChem: 96025094
ChEMBL: CHEMBL21333
DrugBank: DB01411
PDB-CCD: KNT[PDBj]
LigandBox: D08408
NIKKAJI: J326.578A
KCF data

ATOM        36
            1   C8y C    22.3300  -19.3200
            2   C8x C    23.5200  -20.0900
            3   C8x C    24.7800  -19.3200
            4   C8y C    24.7800  -17.9200
            5   C8x C    23.5200  -17.2200
            6   C8x C    22.3300  -17.9200
            7   C5a C    21.1400  -20.0900
            8   N1b N    19.8800  -19.3900
            9   O5a O    21.1400  -21.4900
            10  C8y C    18.6900  -20.0200
            11  C8y C    17.5000  -19.3900
            12  C8y C    16.3100  -20.0900
            13  C8x C    16.3100  -21.4900
            14  C8x C    17.5000  -22.1900
            15  C8x C    18.6900  -21.4200
            16  O2a O    25.9700  -17.2200
            17  C1b C    27.2300  -17.9200
            18  C1b C    28.4200  -17.2200
            19  C1b C    29.6100  -17.9200
            20  C1b C    30.8700  -17.2200
            21  C8y C    32.0600  -17.9200
            22  C8x C    32.0600  -19.3200
            23  C8x C    33.3200  -20.0900
            24  C8x C    34.5100  -19.3200
            25  C8x C    34.5100  -17.9200
            26  C8x C    33.3200  -17.2200
            27  O2x O    17.5000  -17.9900
            28  C8y C    16.3100  -17.2200
            29  C8x C    15.1200  -17.9900
            30  C8y C    15.1200  -19.3900
            31  C8y C    16.3100  -15.8200
            32  N4x N    17.4300  -15.0500
            33  N5x N    17.0100  -13.7200
            34  N5x N    15.6100  -13.7200
            35  N5x N    15.1900  -15.0500
            36  O5x O    13.8600  -20.0900
BOND        40
            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

» Japanese version   » Back

DBGET integrated database retrieval system