KEGG   DRUG: D09650Help
Entry
D09650                      Drug                                   

Name
Orvepitant (USAN/INN)
Formula
C31H35F7N4O2
Exact mass
628.2648
Mol weight
628.624
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of depression, anxiety and insomnia
Target
tachykinin receptor 1 / neurokinin-1 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 [HSA:6869] [KO:K04222]
     Orvepitant
      D09650  Orvepitant (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
579475-18-6
PubChem: 
LigandBox: 
KCF data Show

ATOM        44
            1   C8y C    23.7300  -28.2100
            2   C8x C    23.7300  -29.6100
            3   C8y C    24.9200  -30.3100
            4   C8x C    26.1800  -29.6100
            5   C8y C    26.1800  -28.2100
            6   C8x C    24.9200  -27.5100
            7   C1d C    27.3700  -27.5100
            8   X   F    26.6700  -26.3200
            9   X   F    28.0700  -28.7000
            10  X   F    28.6300  -26.8100
            11  C1d C    24.9200  -31.7100
            12  X   F    26.3200  -31.7100
            13  X   F    23.5200  -31.7100
            14  X   F    24.9200  -33.1100
            15  C1c C    22.5400  -27.5100
            16  N1c N    21.3500  -28.2100
            17  C1a C    22.5400  -26.1100
            18  C5a C    20.1600  -27.5100
            19  C1a C    21.3500  -29.6100
            20  N1y N    18.9700  -28.2100
            21  O5a O    20.1600  -26.1100
            22  C1y C    17.7800  -27.5100
            23  C1x C    16.5200  -28.2100
            24  C1y C    16.5200  -29.6100
            25  C1x C    17.7100  -30.3100
            26  C1x C    18.9700  -29.6100
            27  C8y C    17.7800  -26.1100
            28  C8x C    18.9700  -25.4100
            29  C8x C    18.9700  -24.0100
            30  C8y C    17.7800  -23.3100
            31  C8x C    16.5200  -24.0100
            32  C8y C    16.5200  -25.4100
            33  C1a C    15.3300  -26.1100
            34  X   F    17.7800  -21.9100
            35  N1y N    15.3300  -30.3100
            36  C1x C    14.1400  -29.6100
            37  C1y C    12.8800  -30.3100
            38  N1y N    12.8800  -31.7100
            39  C1x C    14.0700  -32.4100
            40  C1x C    15.3300  -31.7100
            41  C1x C    11.5500  -29.8900
            42  C1x C    10.7100  -31.0100
            43  C5x C    11.5500  -32.1300
            44  O5x O    11.1300  -33.4600
BOND        48
            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     5   7 1
            8     7   8 1
            9     7   9 1
            10    7  10 1
            11    3  11 1
            12   11  12 1
            13   11  13 1
            14   11  14 1
            15    1  15 1
            16   15  16 1
            17   15  17 1 #Down
            18   16  18 1
            19   16  19 1
            20   18  20 1
            21   18  21 2
            22   20  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   20  26 1
            28   22  27 1 #Down
            29   27  28 2
            30   28  29 1
            31   29  30 2
            32   30  31 1
            33   31  32 2
            34   27  32 1
            35   32  33 1
            36   30  34 1
            37   24  35 1 #Down
            38   35  36 1
            39   36  37 1
            40   37  38 1
            41   38  39 1
            42   39  40 1
            43   35  40 1
            44   37  41 1
            45   41  42 1
            46   42  43 1
            47   38  43 1
            48   43  44 2

» Japanese version   » Back

DBGET integrated database retrieval system