KEGG   DRUG: D02849Help
Entry
D02849                      Drug                                   

Name
Ritolukast (USAN/INN)
Formula
C17H13F3N2O3S
Exact mass
382.0599
Mol weight
382.3569
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
     Ritolukast
      D02849  Ritolukast (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
111974-60-8
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C8x C    22.3300  -15.4700
            2   C8x C    22.3300  -14.0700
            3   C8x C    23.5200  -13.3700
            4   C8y C    24.7800  -14.0700
            5   C8y C    24.7800  -15.4700
            6   C8x C    23.5200  -16.1700
            7   C8x C    25.9700  -13.3700
            8   C8x C    27.1600  -14.0700
            9   C8y C    27.1600  -15.4700
            10  N5x N    25.9700  -16.1700
            11  C1b C    28.3724  -16.1700
            12  O2a O    29.5849  -15.4700
            13  C8y C    30.7973  -16.1700
            14  C8x C    30.7973  -17.5700
            15  C8x C    32.0097  -18.2700
            16  C8x C    33.2222  -17.5700
            17  C8y C    33.2222  -16.1700
            18  C8x C    32.0097  -15.4700
            19  N1b N    34.4553  -15.4578
            20  S4a S    35.6615  -16.1540
            21  C1d C    36.8433  -15.4715
            22  O3c O    34.6716  -17.1440
            23  O3c O    36.6515  -17.1440
            24  X   F    35.8534  -14.4816
            25  X   F    37.8333  -16.4615
            26  X   F    37.8333  -14.4816
BOND        28
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   17  19 1
            22   19  20 1
            23   20  21 1
            24   20  22 2
            25   20  23 2
            26   21  24 1
            27   21  25 1
            28   21  26 1

» Japanese version   » Back

DBGET integrated database retrieval system