KEGG   DRUG: SetipiprantHelp
Entry
D10326                      Drug                                   

Name
Setipiprant (USAN/INN)
Formula
C24H19FN2O3
Exact mass
402.138
Mol weight
402.4177
Structure
Mol fileKCF fileDB search
Efficacy
Antiasthmatic, Anti-inflammatory, Prostaglandin D2 receptor antagonist
Comment
Treatment of asthma, allergic rhinitis, atopic dermatitis
Target
PTGDR [HSA:5729] [KO:K04332]
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGDR
     D10326  Setipiprant (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 866460-33-5
PubChem: 163312356
ChEMBL: CHEMBL2386081
LinkDB All DBs
KCF data Show

ATOM        30
            1   C8y C    14.9800  -19.9500
            2   C8x C    14.9800  -21.3500
            3   C8x C    16.1700  -22.0500
            4   C8y C    17.4300  -21.3500
            5   C8y C    17.4300  -19.9500
            6   C8x C    16.1700  -19.2500
            7   N4y N    18.7600  -21.7700
            8   C8y C    19.5300  -20.6500
            9   C8y C    18.7600  -19.5300
            10  X   F    13.7900  -19.2500
            11  C1b C    18.7600  -23.1700
            12  C6a C    19.9500  -23.8700
            13  O6a O    21.1400  -23.1700
            14  O6a O    19.9500  -25.2700
            15  C1x C    20.9300  -20.5100
            16  C1x C    21.5600  -19.2500
            17  N1y N    20.7900  -18.1300
            18  C1x C    19.3900  -18.2700
            19  C5a C    21.9800  -17.4300
            20  C8y C    23.1700  -18.1300
            21  C8x C    23.1700  -19.5300
            22  C8x C    24.4300  -20.2300
            23  C8x C    25.6200  -19.5300
            24  C8y C    25.6200  -18.1300
            25  C8y C    24.4300  -17.4300
            26  C8x C    26.8100  -17.4300
            27  C8x C    26.8100  -16.0300
            28  C8x C    25.6200  -15.3300
            29  C8x C    24.4300  -16.0300
            30  O5a O    21.9800  -16.0300
BOND        34
            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 2
            10    5   9 1
            11    1  10 1
            12   11  12 1
            13   12  13 1
            14   11   7 1
            15   12  14 2
            16    8  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20    9  18 1
            21   19  20 1
            22   19  17 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   20  25 1
            29   24  26 1
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   25  29 1
            34   19  30 2

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