KEGG   DRUG: D08969Help
Entry
D08969                      Drug                                   

Name
Pimavanserin tartrate (USAN)
Formula
(C25H34FN3O2)2. C4H6O6
Exact mass
1004.5434
Mol weight
1005.1964
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of psychosis in Parkinson's disease patients and in schizophrenia patients
Target
5-HT2A-receptor inverse agonist [HSA:3356] [KO:K04157]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    5-HT2A-receptor
     Pimavanserin
      D08969  Pimavanserin tartrate (USAN)
BRITE hierarchy
Other DBs
CAS: 
706782-28-7
PubChem: 
LigandBox: 
KCF data Show

ATOM        72
            1   C8x C    13.5100  -17.7800
            2   C8y C    13.5100  -19.1800
            3   C8x C    14.7224  -19.8800
            4   C8x C    15.9349  -19.1800
            5   C8y C    15.9349  -17.7800
            6   C8x C    14.7224  -17.0800
            7   C1b C    17.1724  -17.0800
            8   N1b N    18.3849  -17.7800
            9   C5a C    19.5973  -17.0800
            10  N1c N    20.8097  -17.7800
            11  C1y C    22.0222  -17.0800
            12  C1x C    23.2553  -17.7922
            13  C1x C    24.4679  -17.0924
            14  N1y N    24.4681  -15.6924
            15  C1x C    23.2350  -14.9802
            16  C1x C    22.0224  -15.6800
            17  O5a O    19.5973  -15.6800
            18  C1b C    20.8097  -19.1799
            19  C8y C    22.0221  -19.8799
            20  C8x C    22.0221  -21.2797
            21  C8x C    23.2346  -21.9797
            22  C8y C    24.4470  -21.2797
            23  C8x C    24.4470  -19.8799
            24  C8x C    23.2346  -19.1799
            25  X   F    25.6467  -21.9725
            26  C1a C    25.7099  -14.9756
            27  O2a O    12.2976  -19.8800
            28  C1b C    11.0851  -19.1800
            29  C1c C     9.8727  -19.8800
            30  C1a C     8.6603  -19.1800
            31  C1a C     9.8727  -21.2800
            32  O6a O    31.6400  -18.1300
            33  C6a C    32.8524  -18.8300
            34  C1c C    34.0649  -18.1300
            35  C1c C    35.2773  -18.8300
            36  C6a C    36.4897  -18.1300
            37  O6a O    37.7022  -18.8300
            38  O6a O    32.8524  -20.2298
            39  O6a O    36.4897  -16.7301
            40  O1a O    34.0649  -16.7302
            41  O1a O    35.2773  -20.2300
            42  C8x C    13.5100  -17.7800
            43  C8y C    13.5100  -19.1800
            44  C8x C    14.7224  -19.8800
            45  C8x C    15.9349  -19.1800
            46  C8y C    15.9349  -17.7800
            47  C8x C    14.7224  -17.0800
            48  C1b C    17.1724  -17.0800
            49  N1b N    18.3849  -17.7800
            50  C5a C    19.5973  -17.0800
            51  N1c N    20.8097  -17.7800
            52  C1y C    22.0222  -17.0800
            53  C1x C    23.2553  -17.7922
            54  C1x C    24.4679  -17.0924
            55  N1y N    24.4681  -15.6924
            56  C1x C    23.2350  -14.9802
            57  C1x C    22.0224  -15.6800
            58  C1a C    25.7099  -14.9756
            59  C1b C    20.8097  -19.1799
            60  C8y C    22.0221  -19.8799
            61  C8x C    22.0221  -21.2797
            62  C8x C    23.2346  -21.9797
            63  C8y C    24.4470  -21.2797
            64  C8x C    24.4470  -19.8799
            65  C8x C    23.2346  -19.1799
            66  X   F    25.6467  -21.9725
            67  O5a O    19.5973  -15.6800
            68  O2a O    12.2976  -19.8800
            69  C1b C    11.0851  -19.1800
            70  C1c C     9.8727  -19.8800
            71  C1a C     8.6603  -19.1800
            72  C1a C     9.8727  -21.2800
BOND        75
            1    32  33 1
            2    33  34 1
            3    34  35 1
            4    35  36 1
            5    36  37 1
            6    33  38 2
            7    36  39 2
            8    34  40 1 #Down
            9    35  41 1 #Down
            10    1   2 2
            11    2   3 1
            12    3   4 2
            13    4   5 1
            14    5   6 2
            15    1   6 1
            16    5   7 1
            17    7   8 1
            18    8   9 1
            19    9  10 1
            20   10  11 1
            21   11  12 1
            22   12  13 1
            23   13  14 1
            24   14  15 1
            25   15  16 1
            26   11  16 1
            27    9  17 2
            28   10  18 1
            29   18  19 1
            30   19  20 2
            31   20  21 1
            32   21  22 2
            33   22  23 1
            34   23  24 2
            35   19  24 1
            36   22  25 1
            37   14  26 1
            38    2  27 1
            39   27  28 1
            40   28  29 1
            41   29  30 1
            42   29  31 1
            43   42  43 2
            44   43  44 1
            45   44  45 2
            46   45  46 1
            47   46  47 2
            48   42  47 1
            49   46  48 1
            50   48  49 1
            51   49  50 1
            52   50  51 1
            53   51  52 1
            54   52  53 1
            55   53  54 1
            56   54  55 1
            57   55  56 1
            58   56  57 1
            59   52  57 1
            60   50  67 2
            61   51  59 1
            62   59  60 1
            63   60  61 2
            64   61  62 1
            65   62  63 2
            66   63  64 1
            67   64  65 2
            68   60  65 1
            69   63  66 1
            70   55  58 1
            71   43  68 1
            72   68  69 1
            73   69  70 1
            74   70  71 1
            75   70  72 1
BRACKET     1     6.1600  -22.4000    6.1600  -12.7400
            1    27.3700  -12.7400   27.3700  -22.4000
            1  2
 ORIGINAL  1    1   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16
            1   26  18  19  20  21  22  23  24  25  17  27  28  29  30  31
 REPEAT    1   42  43  44  45  46  47  48  49  50  51  52  53  54  55  56  57
            1   58  59  60  61  62  63  64  65  66  67  68  69  70  71  72

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