KEGG   DRUG: Montelukast sodium
Entry
D00529                      Drug                                   
Name
Montelukast sodium (JP18/USP);
Singulair (TN)
Product
SINGULAIR (Organon LLC)
  Generic
MONTELUKAST (A-S Medication Solutions), MONTELUKAST (A-S Medication Solutions), MONTELUKAST (Aphena Pharma Solutions - Tennessee), MONTELUKAST (AvPAK), MONTELUKAST (BluePoint Laboratories), MONTELUKAST (Bryant Ranch Prepack), MONTELUKAST (Camber Pharmaceuticals), MONTELUKAST (Cardinal Health 107), MONTELUKAST (Legacy Pharmaceutical Packaging), MONTELUKAST (Macleods Pharmaceuticals Limited), MONTELUKAST (Major Pharmaceuticals), MONTELUKAST (NuCare Pharmaceuticals), MONTELUKAST (NuCare Pharmaceuticals), MONTELUKAST (Pharmasource Meds), MONTELUKAST (Preferred Pharmaceuticals), MONTELUKAST (Proficient Rx LP), MONTELUKAST (Quallent Pharmaceuticals Health LLC), MONTELUKAST (REMEDYREPACK), MONTELUKAST (RPK Pharmaceuticals), MONTELUKAST (Sandoz), MONTELUKAST (XLCare Pharmaceuticals), MONTELUKAST SODIUM (A-S Medication Solutions), MONTELUKAST SODIUM (A-S Medication Solutions), MONTELUKAST SODIUM (A-S Medication Solutions), MONTELUKAST SODIUM (A-S Medication Solutions), MONTELUKAST SODIUM (Accord Healthcare), MONTELUKAST SODIUM (Ajanta Pharma USA), MONTELUKAST SODIUM (American Health Packaging), MONTELUKAST SODIUM (Amneal Pharmaceuticals LLC), MONTELUKAST SODIUM (Amneal Pharmaceuticals LLC), MONTELUKAST SODIUM (Aphena Pharma Solutions - Tennessee), MONTELUKAST SODIUM (Aurobindo Pharma Limited), MONTELUKAST SODIUM (Aurobindo Pharma Limited), MONTELUKAST SODIUM (AvKARE), MONTELUKAST SODIUM (AvPAK), MONTELUKAST SODIUM (Bryant Ranch Prepack), MONTELUKAST SODIUM (Bryant Ranch Prepack), MONTELUKAST SODIUM (Bryant Ranch Prepack), MONTELUKAST SODIUM (Camber Pharmaceuticals), MONTELUKAST SODIUM (Chartwell RX), MONTELUKAST SODIUM (DIRECT RX), MONTELUKAST SODIUM (DIRECT RX), MONTELUKAST SODIUM (Direct_Rx), MONTELUKAST SODIUM (Dr.Reddy's Laboratories Limited), MONTELUKAST SODIUM (Dr.Reddy's Laboratories Limited), MONTELUKAST SODIUM (Graviti Pharmaceuticals Private Limited), MONTELUKAST SODIUM (Graviti Pharmaceuticals Private Limited), MONTELUKAST SODIUM (Lannett Company), MONTELUKAST SODIUM (Macleods Pharmaceuticals Limited), MONTELUKAST SODIUM (NuCare Pharmaceuticals), MONTELUKAST SODIUM (NuCare Pharmaceuticals), MONTELUKAST SODIUM (NuCare Pharmaceuticals), MONTELUKAST SODIUM (NuCare Pharmceuticals), MONTELUKAST SODIUM (PD-Rx Pharmaceuticals), MONTELUKAST SODIUM (PD-Rx Pharmaceuticals), MONTELUKAST SODIUM (PD-Rx Pharmaceuticals), MONTELUKAST SODIUM (Preferred Pharmaceuticals), MONTELUKAST SODIUM (Preferred Pharmaceuticals), MONTELUKAST SODIUM (Preferred Pharmaceuticals), MONTELUKAST SODIUM (Preferred Pharmaceuticals), MONTELUKAST SODIUM (Preferred Pharmaceuticals), MONTELUKAST SODIUM (Proficient Rx LP), MONTELUKAST SODIUM (Proficient Rx LP), MONTELUKAST SODIUM (Proficient Rx LP), MONTELUKAST SODIUM (Proficient Rx LP), MONTELUKAST SODIUM (Proficient Rx LP), MONTELUKAST SODIUM (Proficient Rx LP), MONTELUKAST SODIUM (Proficient Rx LP), MONTELUKAST SODIUM (Proficient Rx LP), MONTELUKAST SODIUM (Proficient Rx LP), MONTELUKAST SODIUM (Proficient Rx LP), MONTELUKAST SODIUM (Proficient Rx LP), MONTELUKAST SODIUM (Proficient Rx LP), MONTELUKAST SODIUM (REMEDYREPACK), MONTELUKAST SODIUM (REMEDYREPACK), MONTELUKAST SODIUM (RPK Pharmaceuticals), MONTELUKAST SODIUM (RPK Pharmaceuticals), MONTELUKAST SODIUM (RPK Pharmaceuticals), MONTELUKAST SODIUM (RPK Pharmaceuticals), MONTELUKAST SODIUM (Redpharn Drug), MONTELUKAST SODIUM (Rising Pharma Holdings), MONTELUKAST SODIUM (Rising Pharma Holdings), MONTELUKAST SODIUM (Slate Run Pharmaceuticals), MONTELUKAST SODIUM (Torrent Pharmaceuticals Limited), MONTELUKAST SODIUM (Unichem Pharmaceuticals (USA)), MONTELUKAST SODIUM (Westminster Pharmaceuticals)
Formula
C35H35ClNO3S. Na
Exact mass
607.1924
Mol weight
608.16
Structure
Simcomp
Class
Anti-allergic agent
 DG01541  Cysteinyl leukotriene receptor antagonist
Metabolizing enzyme substrate
 DG02918  CYP2C8 substrate
 DG01642  CYP2C9 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 4490
ATC code: R03DC03
Chemical structure group: DG01066
Product (DG01066): D00529<JP/US>
Efficacy
Antiallergic, Antiasthmatic, Leukotriene receptor antagonist
  Disease
Asthma [DS:H00079]
Allergic rhinitis [DS:H01360]
Target
CYSLTR1 [HSA:10800] [KO:K04322]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP2C8 [HSA:1558], CYP2C9 [HSA:1559], 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
     R03DC03 Montelukast
      D00529  Montelukast sodium (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Antileukotrienes
   Montelukast
    D00529  Montelukast sodium (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  44  Allergic agents
   449  Miscellaneous
    4490  Miscellaneous
     D00529  Montelukast sodium (JP18/USP)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01541  Cysteinyl leukotriene receptor antagonist
   DG01066  Montelukast
    D00529  Montelukast sodium
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   DG01066  Montelukast
    D00529  Montelukast sodium
  DG01642  CYP2C9 substrate
   DG01066  Montelukast
    D00529  Montelukast sodium
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01066  Montelukast
     D00529  Montelukast sodium
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Cysteinyl leukotriene
    CYSLTR1
     D00529  Montelukast sodium (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00529  Montelukast sodium
  D00529  Montelukast sodium tablets
  D00529  Montelukast sodium chewable tablets
  D00529  Montelukast sodium granules
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00529
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00529
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01541  Cysteinyl leukotriene receptor antagonist
   DG01066  Montelukast
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   DG01066  Montelukast
  DG01642  CYP2C9 substrate
   DG01066  Montelukast
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01066  Montelukast
Other DBs
CAS: 151767-02-1
PubChem: 7847595
ChEBI: 6993
LigandBox: D00529
NIKKAJI: J647.557D
LinkDB
KCF data

ATOM        42
            1   C1z C    36.9691  -14.8166
            2   C1x C    36.2578  -13.6037
            3   C1x C    35.5580  -14.8283
            4   C1b C    36.9691  -16.2103
            5   C1b C    38.1704  -14.1168
            6   S2a S    35.7562  -16.9160
            7   C1c C    35.7621  -18.3156
            8   C8y C    34.5549  -19.0211
            9   C1b C    36.9750  -19.0094
            10  C8x C    33.3419  -18.3214
            11  C8x C    34.5549  -20.4208
            12  C1b C    38.1762  -18.3097
            13  C8y C    32.1290  -19.0270
            14  C8x C    33.3419  -21.1263
            15  C8y C    39.3893  -19.0037
            16  C2b C    30.9160  -18.3330
            17  C8x C    32.1290  -20.4265
            18  C8y C    39.3951  -20.3974
            19  C8x C    40.5964  -18.3039
            20  C2b C    29.7030  -19.0270
            21  C8x C    40.6081  -21.0972
            22  C1d C    38.1821  -21.1029
            23  C8x C    41.8093  -18.9920
            24  C8y C    28.5017  -18.3330
            25  C8x C    41.8152  -20.3917
            26  C1a C    36.9691  -21.7911
            27  N5x N    27.2831  -19.0270
            28  C8x C    28.5076  -16.9335
            29  C8y C    26.1399  -18.3273
            30  C8x C    27.2947  -16.2220
            31  C8y C    26.0759  -16.9218
            32  C8x C    24.8687  -19.0211
            33  C8x C    24.8687  -16.2162
            34  C8y C    23.6500  -18.3273
            35  C8x C    23.6500  -16.9218
            36  X   Cl   22.4311  -19.0211
            37  C6a C    39.3798  -14.8090
            38  O6a O    40.5980  -14.0993 #-
            39  O6a O    39.3846  -16.2398
            40  C1a C    38.8570  -22.2784
            41  O1a O    37.4629  -19.8502
            42  Z   Na   42.0700  -14.1400 #+
BOND        45
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     4   6 1
            6     7   6 1 #Down
            7     7   8 1
            8     7   9 1
            9     8  10 2
            10    8  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 2
            14   12  15 1
            15   13  16 1
            16   13  17 2
            17   15  18 2
            18   15  19 1
            19   16  20 2
            20   18  21 1
            21   18  22 1
            22   19  23 2
            23   20  24 1
            24   21  25 2
            25   22  26 1
            26   24  27 2
            27   24  28 1
            28   27  29 1
            29   28  30 2
            30   29  31 2
            31   29  32 1
            32   31  33 1
            33   32  34 2
            34   33  35 2
            35   34  36 1
            36    2   3 1
            37   14  17 1
            38   23  25 1
            39   30  31 1
            40   34  35 1
            41    5  37 1
            42   37  38 1
            43   37  39 2
            44   22  40 1
            45   22  41 1

» Japanese version   » Back

KEGG   DRUG: Montelukast
Entry
D08229                      Drug                                   
Name
Montelukast (INN);
Brondilat (TN)
Formula
C35H36ClNO3S
Exact mass
585.2104
Mol weight
586.18
Structure
Simcomp
Class
Anti-allergic agent
 DG01541  Cysteinyl leukotriene receptor antagonist
Metabolizing enzyme substrate
 DG02918  CYP2C8 substrate
 DG01642  CYP2C9 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Same as: C07482
ATC code: R03DC03
Chemical structure group: DG01066
Product (DG01066): D00529<JP/US>
Efficacy
Antiallergic, Antiasthmatic, Leukotriene receptor antagonist
Target
CYSLTR1 [HSA:10800] [KO:K04322]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP2C8 [HSA:1558], CYP2C9 [HSA:1559], 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
     R03DC03 Montelukast
      D08229  Montelukast (INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01541  Cysteinyl leukotriene receptor antagonist
   DG01066  Montelukast
    D08229  Montelukast
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   DG01066  Montelukast
    D08229  Montelukast
  DG01642  CYP2C9 substrate
   DG01066  Montelukast
    D08229  Montelukast
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01066  Montelukast
     D08229  Montelukast
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Cysteinyl leukotriene
    CYSLTR1
     D08229  Montelukast (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08229
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01541  Cysteinyl leukotriene receptor antagonist
   DG01066  Montelukast
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   DG01066  Montelukast
  DG01642  CYP2C9 substrate
   DG01066  Montelukast
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01066  Montelukast
Other DBs
CAS: 158966-92-8
PubChem: 96024917
ChEBI: 50730
PDB-CCD: MTK[PDBj]
LigandBox: D08229
NIKKAJI: J870.100H
LinkDB
KCF data

ATOM        41
            1   C1z C    28.9800  -14.8400
            2   C1x C    28.2800  -13.5800
            3   C1x C    27.5800  -14.8400
            4   C1b C    28.9800  -16.2400
            5   C1b C    30.2400  -14.1400
            6   S2a S    27.7900  -16.9400
            7   C1c C    27.7900  -18.3400
            8   C8y C    26.6000  -19.0400
            9   C1b C    28.9800  -19.0400
            10  C8x C    25.3400  -18.3400
            11  C8x C    26.6000  -20.4400
            12  C1b C    30.2400  -18.3400
            13  C8y C    24.1500  -19.0400
            14  C8x C    25.4100  -21.1400
            15  C8y C    31.4300  -18.9700
            16  C2b C    22.9600  -18.3400
            17  C8x C    24.1500  -20.4400
            18  C8y C    31.4300  -20.3700
            19  C8x C    32.6200  -18.2700
            20  C2b C    21.7000  -19.0400
            21  C8x C    32.6200  -21.0700
            22  C1d C    30.2400  -21.0700
            23  C8x C    33.8800  -18.9700
            24  C8y C    20.5100  -18.3400
            25  C8x C    33.8800  -20.3700
            26  C1a C    28.9800  -21.7700
            27  N5x N    19.3200  -19.0400
            28  C8x C    20.5100  -16.9400
            29  C8y C    18.1300  -18.3400
            30  C8x C    19.3200  -16.2400
            31  C8y C    18.1300  -16.9400
            32  C8x C    16.8700  -19.0400
            33  C8x C    16.8700  -16.2400
            34  C8y C    15.6800  -18.3400
            35  C8x C    15.6800  -16.9400
            36  X   Cl   14.4900  -19.0400
            37  C6a C    31.4300  -14.7700
            38  O6a O    32.6200  -14.0700
            39  O6a O    31.4300  -16.1700
            40  C1a C    30.9400  -22.3300
            41  O1a O    29.5400  -19.8800
BOND        45
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     4   6 1
            6     7   6 1 #Down
            7     7   8 1
            8     7   9 1
            9     8  10 2
            10    8  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 2
            14   12  15 1
            15   13  16 1
            16   13  17 2
            17   15  18 2
            18   15  19 1
            19   16  20 2
            20   18  21 1
            21   18  22 1
            22   19  23 2
            23   20  24 1
            24   21  25 2
            25   22  26 1
            26   24  27 2
            27   24  28 1
            28   27  29 1
            29   28  30 2
            30   29  31 2
            31   29  32 1
            32   31  33 1
            33   32  34 2
            34   33  35 2
            35   34  36 1
            36    2   3 1
            37   14  17 1
            38   23  25 1
            39   30  31 1
            40   34  35 1
            41    5  37 1
            42   37  38 1
            43   37  39 2
            44   22  40 1
            45   22  41 1

» Japanese version   » Back

DBGET integrated database retrieval system