KEGG   DRUG: D02851Help
Entry
D02851                      Drug                                   

Name
Tomelukast (USAN/INN)
Formula
C16H22N4O3
Exact mass
318.1692
Mol weight
318.3709
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-asthmatic [leukotriene antagonist]
Remark
Drug group: 
Target
cysteinyl leukotriene receptor 1 (CYSLTR1) antagonist [HSA:10800] [KO:K04322]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Cysteinyl leukotriene
    cysteinyl leukotriene receptor 1
     Tomelukast
      D02851  Tomelukast (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
88107-10-2
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C8y C    26.9500  -17.4300
            2   C8x C    26.9500  -16.0300
            3   C8x C    28.1400  -15.3300
            4   C8y C    29.3300  -16.0300
            5   C8y C    29.3300  -17.4300
            6   C8y C    28.1400  -18.1300
            7   O2a O    30.5900  -15.3300
            8   C1b C    31.7800  -16.0300
            9   C1b C    32.9700  -15.3300
            10  C1b C    34.2300  -16.0300
            11  C1b C    35.4200  -15.3300
            12  C8y C    36.6100  -16.0300
            13  N4x N    37.9400  -15.6100
            14  N5x N    38.7800  -16.8000
            15  N5x N    37.9400  -17.9200
            16  N5x N    36.6100  -17.4300
            17  C1b C    30.5900  -18.1300
            18  C1b C    31.7800  -17.4300
            19  C1a C    32.9700  -18.1300
            20  O1a O    28.1400  -19.5300
            21  C5a C    25.6900  -18.1300
            22  C1a C    24.5000  -17.4300
            23  O5a O    25.6900  -19.5300
BOND        24
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   12  16 2
            18    5  17 1
            19   17  18 1
            20   18  19 1
            21    6  20 1
            22    1  21 1
            23   21  22 1
            24   21  23 2

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