KEGG   DRUG: D02846Help
Entry
D02846                      Drug                                   

Name
Cinalukast (USAN/INN)
Formula
C23H28N2O3S
Exact mass
412.1821
Mol weight
412.545
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 [HSA:10800] [KO:K04322]
     Cinalukast
      D02846  Cinalukast (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
128312-51-6
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        29
            1   C8x C    24.7100  -15.0500
            2   C8y C    24.7100  -16.4500
            3   C8x C    25.9000  -17.1500
            4   C8y C    27.1600  -16.4500
            5   C8x C    27.1600  -15.0500
            6   C8x C    25.9000  -14.3500
            7   N1b N    28.3500  -17.1500
            8   C5a C    29.6100  -16.4500
            9   C1b C    30.8000  -17.1500
            10  C1d C    31.9900  -16.4500
            11  C6a C    33.2500  -17.1500
            12  O6a O    34.4400  -16.4500
            13  C2b C    23.5200  -17.1500
            14  C2b C    22.2600  -16.4500
            15  C8y C    21.0700  -17.1500
            16  O5a O    29.6100  -15.0500
            17  O6a O    33.2500  -18.5500
            18  C1b C    33.2500  -15.7500
            19  C1a C    33.2500  -14.3500
            20  C1b C    30.8000  -15.7500
            21  C1a C    30.8000  -14.3500
            22  C8x C    19.2500  -18.4800
            23  S2x S    20.6500  -18.4800
            24  N5x N    19.9500  -16.3100
            25  C8y C    18.8300  -17.1500
            26  C1y C    17.4970  -16.7220
            27  C1x C    16.8610  -15.4843
            28  C1x C    15.6234  -16.1203
            29  C1x C    16.2594  -17.3580
BOND        31
            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    2  13 1
            14   13  14 2
            15   14  15 1
            16    8  16 2
            17   11  17 2
            18   10  18 1
            19   18  19 1
            20   10  20 1
            21   20  21 1
            22   22  23 1
            23   23  15 1
            24   15  24 2
            25   24  25 1
            26   22  25 2
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   26  29 1

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