KEGG   DRUG: D09378Help
Entry
D09378                      Drug                                   

Name
Serlopitant (USAN)
Formula
C29H28F7NO2
Exact mass
555.2008
Mol weight
555.5269
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of overactive bladder
Target
tachykinin receptor 1 / neurokinin-1 receptor antagonist [HSA:6869] [KO:K04222]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Tachykinin / neurokinin
    tachykinin receptor 1 / neurokinin-1 receptor
     Serlopitant
      D09378  Serlopitant (USAN)
BRITE hierarchy
Other DBs
CAS: 
860642-69-9
PubChem: 
LigandBox: 
KCF data Show

ATOM        39
            1   C1y C    21.6211  -19.6561
            2   C1y C    21.6211  -21.0598
            3   C1y C    22.8142  -21.7616
            4   C1y C    24.0074  -21.0598
            5   C1x C    24.0074  -19.6561
            6   C1x C    22.8142  -18.9542
            7   C1x C    20.2876  -19.2350
            8   N1y N    19.4454  -20.3579
            9   C1x C    20.2876  -21.4809
            10  C2y C    18.0417  -20.3579
            11  C1x C    17.1995  -19.2350
            12  C1x C    15.8659  -19.6561
            13  C5x C    15.8659  -21.0598
            14  C2x C    17.1995  -21.4809
            15  O5x O    14.7430  -21.9020
            16  O2a O    25.2707  -21.7616
            17  C1c C    26.4638  -21.0598
            18  C8y C    27.6569  -21.7616
            19  C1a C    26.4638  -19.6561
            20  C8y C    22.8142  -23.1653
            21  C8x C    21.6211  -23.8672
            22  C8x C    21.6211  -25.2709
            23  C8y C    22.8142  -25.9727
            24  C8x C    24.0074  -25.2709
            25  C8x C    24.0074  -23.8672
            26  X   F    22.8142  -27.3764
            27  C8x C    27.6569  -23.1653
            28  C8y C    28.8501  -23.8672
            29  C8x C    30.1134  -23.1653
            30  C8y C    30.1134  -21.7616
            31  C8x C    28.8501  -21.0598
            32  C1d C    31.3065  -21.0598
            33  X   F    32.4997  -20.3579
            34  C1d C    28.8501  -25.2709
            35  X   F    28.8501  -26.6745
            36  X   F    30.2501  -25.2709
            37  X   F    27.4501  -25.2709
            38  X   F    32.0065  -22.2722
            39  X   F    30.6065  -19.8473
BOND        43
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    2   9 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 2
            17   13  15 2
            18    4  16 1 #Down
            19   16  17 1
            20   17  18 1
            21   17  19 1 #Down
            22    3  20 1 #Up
            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   23  26 1
            30   18  27 2
            31   27  28 1
            32   28  29 2
            33   29  30 1
            34   30  31 2
            35   18  31 1
            36   30  32 1
            37   32  33 1
            38   28  34 1
            39   34  35 1
            40   34  36 1
            41   34  37 1
            42   32  38 1
            43   32  39 1

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