KEGG   DRUG: D06633Help
Entry
D06633                      Drug                                   

Name
Pruvanserin hydrochloride (USAN)
Formula
C22H21FN4O. HCl
Exact mass
412.1466
Mol weight
412.8877
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Insomnia, major depression, and schizophrenia
Target
5-HT2A-receptor antagonist [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
     Pruvanserin
      D06633  Pruvanserin hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
443144-27-2
PubChem: 
LigandBox: 
KCF data Show

ATOM        29
            1   C8x C    25.6523  -18.6862
            2   C8x C    25.6523  -20.0900
            3   C8x C    26.8680  -20.7919
            4   C8y C    28.0837  -20.0900
            5   C8y C    28.0837  -18.6862
            6   C8y C    26.8680  -17.9843
            7   C8y C    29.4188  -20.5238
            8   C8x C    30.2440  -19.3881
            9   N4x N    29.4188  -18.2525
            10  C3b C    29.8511  -21.8542
            11  C5a C    26.8680  -16.5807
            12  O5a O    25.6354  -15.8689
            13  N1y N    28.0668  -15.8885
            14  C1x C    29.2572  -16.5757
            15  C1x C    30.4729  -15.8739
            16  N1y N    30.4730  -14.4701
            17  C1x C    29.2826  -13.7828
            18  C1x C    28.0669  -14.4847
            19  C1b C    31.7032  -13.7596
            20  C1b C    32.9137  -14.4583
            21  C8y C    34.0983  -13.7743
            22  C8x C    35.2959  -14.4658
            23  C8x C    36.5117  -13.7639
            24  C8y C    36.5117  -12.3601
            25  C8x C    35.3141  -11.6687
            26  C8x C    34.0983  -12.3705
            27  X   F    37.7383  -11.6518
            28  N3a N    30.2145  -23.2102
            29  X   Cl   34.3000  -18.2000
BOND        31
            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 2
            9     8   9 1
            10    5   9 1
            11    7  10 1
            12    6  11 1
            13   11  12 2
            14   11  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   13  18 1
            21   16  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   21  26 1
            30   24  27 1
            31   10  28 3

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