KEGG   DRUG: Pimavanserin tartrate
Entry
D08969                      Drug                                   
Name
Pimavanserin tartrate (USAN);
Nuplazide (TN)
Product
NUPLAZID (Acadia Pharmaceuticals)
Formula
(C25H34FN3O2)2. C4H6O6
Exact mass
1004.5434
Mol weight
1005.19
Structure
Class
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG02954  CYP2J2 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02925  CYP3A5 substrate
Remark
ATC code: N05AX17
Product: D08969<US>
Efficacy
Antiparkinsonian, Antipsychotic
  Disease
Parkinson disease [DS:H00057]
Comment
Treatment of psychosis in Parkinson's disease patients and in schizophrenia patients
Target
HTR2A [HSA:3356] [KO:K04157]
HTR2C [HSA:3358] [KO:K04157]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577]; CYP2J2 [HSA:1573], CYP2D6 [HSA:1565]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AX Other antipsychotics
     N05AX17 Pimavanserin
      D08969  Pimavanserin tartrate (USAN) <US>
USP drug classification [BR:br08302]
 Antipsychotics
  2nd Generation/Atypical
   Pimavanserin
    D08969  Pimavanserin tartrate (USAN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   D08969  Pimavanserin tartrate
  DG02954  CYP2J2 substrate
   D08969  Pimavanserin tartrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D08969  Pimavanserin tartrate
  DG02925  CYP3A5 substrate
   D08969  Pimavanserin tartrate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR2A
     D08969  Pimavanserin tartrate (USAN) <US>
    HTR2C
     D08969  Pimavanserin tartrate (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D08969
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D08969
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08969
Other DBs
CAS: 706782-28-7
PubChem: 96025652
ChEBI: 133014
LigandBox: D08969
LinkDB
KCF data

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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