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Entry
D00529                      Drug                                   

Name
Montelukast sodium (JAN/USAN);
Singulair (TN)
Product
  Generic
MONTELUKAST (Bryant Ranch Prepack), MONTELUKAST (Camber Pharmaceuticals), MONTELUKAST (Clinical Solutions Wholesale), MONTELUKAST (International Labs), MONTELUKAST (Macleods Pharmaceuticals Limited), MONTELUKAST SODIUM (Mylan Pharmaceuticals), MONTELUKAST (Sandoz), MONTELUKAST (West ward Pharmaceutical Corp), MONTELUKAST SODIUM (Accord Healthcare), MONTELUKAST SODIUM (Aidarex Pharmaceuticals LLC), MONTELUKAST SODIUM (American Health Packaging), MONTELUKAST SODIUM (Aphena Pharma Solutions - Tennessee), MONTELUKAST SODIUM (Apotex Corp), MONTELUKAST SODIUM (Aurobindo Pharma Limited), MONTELUKAST SODIUM (Aurobindo Pharma Limited), MONTELUKAST SODIUM (AvKARE), MONTELUKAST SODIUM (AvPAK), MONTELUKAST SODIUM (BluePoint Laboratories), MONTELUKAST SODIUM (Bryant Ranch Prepack), MONTELUKAST SODIUM (Bryant Ranch Prepack), MONTELUKAST SODIUM (Cardinal Health), MONTELUKAST SODIUM (Cardinal Health), MONTELUKAST SODIUM (Carilion Materials Management), MONTELUKAST SODIUM (DIRECT RX), MONTELUKAST SODIUM (Dr.Reddy's Laboratories Limited), MONTELUKAST SODIUM (Dr.Reddy's Laboratories Limited), MONTELUKAST SODIUM (Gen-Source Rx), MONTELUKAST SODIUM (Glenmark Generics), MONTELUKAST SODIUM (Greenstone LLC), MONTELUKAST SODIUM (Greenstone LLC), MONTELUKAST SODIUM (Kremers Urban Pharmaceuticals), MONTELUKAST SODIUM (Legacy Pharmaceutical Packaging), MONTELUKAST SODIUM (Legacy Pharmaceutical Packaging), MONTELUKAST SODIUM (Major Pharmaceuticals), MONTELUKAST SODIUM (MedVantx), MONTELUKAST SODIUM (Mylan Institutional), MONTELUKAST SODIUM (Mylan Pharmaceuticals), MONTELUKAST SODIUM (NCS HealthCare of KY), MONTELUKAST SODIUM (PD-Rx Pharmaceuticals), MONTELUKAST SODIUM (PD-Rx Pharmaceuticals), MONTELUKAST SODIUM (Physicians Total Care), MONTELUKAST SODIUM (Preferred Pharmaceuticals), MONTELUKAST SODIUM (Proficient Rx LP), MONTELUKAST SODIUM (Qualitest Pharmaceuticals), MONTELUKAST SODIUM (ReadyMeds), MONTELUKAST SODIUM (Rebel Distributors Corp), MONTELUKAST SODIUM (Roxane Laboratories), MONTELUKAST SODIUM (State of Florida DOH Central Pharmacy), MONTELUKAST SODIUM (State of Florida DOH Central Pharmacy), MONTELUKAST SODIUM (Teva Pharmaceuticals USA), MONTELUKAST SODIUM (Torrent Pharmaceuticals Limited), MONTELUKAST SODIUM (Torrent Pharmaceuticals Limited)
Formula
C35H35ClNO3S. Na
Exact mass
607.1924
Mol weight
608.1651
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-asthmatic [leukotriene antagonist] [DS:H00079]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Target
cysteinyl leukotriene receptor 1 (CYSLTR1) antagonist [HSA:10800] [KO:K04322]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Metabolism
Enzyme: CYP2C9 [HSA:1559], CYP3A4 [HSA:1576]
Interaction
CYP induction: CYP1A2 [HSA:1544]
CYP inhibition: CYP2C8 [HSA:1558]
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
     R03DC03 Montelukast
      D00529  Montelukast sodium (JAN/USAN)
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Antileukotrienes
   Montelukast
    D00529  Montelukast sodium (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  44  Allergic agents
   449  Miscellaneous
    4490  Miscellaneous
     D00529  Montelukast sodium (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Cysteinyl leukotriene
    cysteinyl leukotriene receptor 1
     Montelukast
      D00529  Montelukast sodium (JAN/USAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2C9
   Montelukast
    D00529  Montelukast sodium (JAN/USAN)
  CYP3A4
   Montelukast
    D00529  Montelukast sodium (JAN/USAN)
 Inhbitors
  CYP2C8
   Montelukast
    D00529  Montelukast sodium (JAN/USAN)
 Inducers
  CYP1A2
   Montelukast
    D00529  Montelukast sodium (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 
151767-02-1
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

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

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