KEGG   DRUG: D02741Help
Entry
D02741                      Drug                                   

Name
Ablukast sodium (USAN);
Ulpax (TN)
Formula
C28H33O8. Na
Exact mass
520.2073
Mol weight
520.5466
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-asthmatic [leukotriene antagonist]
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
     Ablukast
      D02741  Ablukast sodium (USAN)
BRITE hierarchy
Other DBs
CAS: 
96565-55-8
PubChem: 
LigandBox: 
KCF data Show

ATOM        37
            1   C8x C    15.4487  -15.7324
            2   C8y C    15.4487  -17.1312
            3   C8y C    16.6377  -17.8306
            4   C8y C    17.8267  -17.1312
            5   C8y C    17.8267  -15.7324
            6   C8x C    16.6377  -15.0330
            7   C1a C    13.0008  -17.1312
            8   C5a C    14.1898  -17.8306
            9   O5a O    14.1898  -19.2294
            10  O2a O    19.0856  -15.0330
            11  C1b C    20.2746  -15.7324
            12  C1b C    21.5335  -15.0330
            13  C1b C    22.7225  -15.7324
            14  C1b C    23.9115  -15.0330
            15  C1b C    25.1005  -15.7324
            16  O2a O    26.3594  -15.0330
            17  C1a C    25.1005  -17.1312
            18  C5a C    26.3594  -17.8306
            19  C8y C    27.5484  -17.1312
            20  C8y C    27.5484  -15.7324
            21  C8x C    28.7373  -17.8306
            22  C8y C    29.9963  -17.1312
            23  C8y C    29.9963  -15.7324
            24  C8x C    28.7373  -15.0330
            25  C1x C    31.1852  -17.8306
            26  C1x C    32.3742  -17.1312
            27  C1y C    32.3742  -15.7324
            28  O2x O    31.1852  -15.0330
            29  O6a O    34.8221  -15.7324 #-
            30  C6a C    33.6331  -15.0330
            31  O5a O    26.3594  -19.2294
            32  O6a O    33.6331  -13.6342
            33  O1a O    16.6377  -19.2294
            34  C1b C    19.0856  -17.8306
            35  C1b C    20.2746  -17.1312
            36  C1a C    21.5335  -17.8306
            37  Z   Na   36.6131  -18.4274 #+
BOND        38
            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     7   8 1
            8     2   8 1
            9     8   9 2
            10    5  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  16 1
            21   19  21 2
            22   21  22 1
            23   23  24 1
            24   20  24 2
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   23  28 1
            29   29  30 1
            30   27  30 1
            31   18  31 2
            32   30  32 2
            33    3  33 1
            34    4  34 1
            35   34  35 1
            36   35  36 1
            37   23  22 2
            38   22  25 1

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