KEGG   DRUG: D05340Help
Entry
D05340                      Drug                                   

Name
Paliperidone palmitate (JAN/USAN);
Xeplion (TN)
Product
Formula
C39H57FN4O4
Exact mass
664.4364
Mol weight
664.8927
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of schizophrenia
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Comment
Serotonin-dopamine antagonists (SDA)
prodrug, active substance: Paliperidone [DR:D05339]
Target
5-HT2A-receptor antagonist [HSA:3356] [KO:K04157];
dopamine D2-receptor antagonist [HSA:1813] [KO:K04145]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04540  Gap junction  
 
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AX Other antipsychotics
     N05AX13 Paliperidone
      D05340  Paliperidone palmitate (JAN/USAN)
USP drug classification [BR:br08302]
 Antipsychotics
  2nd Generation/Atypical
   Paliperidone
    D05340  Paliperidone palmitate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1179  Others
     D05340  Paliperidone palmitate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    dopamine D2-receptor
     Paliperidone
      D05340  Paliperidone palmitate (USAN)
   Serotonin
    5-HT2A-receptor
     Paliperidone
      D05340  Paliperidone palmitate (USAN)
BRITE hierarchy
Other DBs
CAS: 
199739-10-1
PubChem: 
LigandBox: 
KCF data Show

ATOM        48
            1   C8y C    20.0900  -20.2300
            2   C8y C    20.0900  -18.8300
            3   N5x N    21.2800  -18.1300
            4   C8y C    22.5400  -18.8300
            5   N4y N    22.5400  -20.2300
            6   C8y C    21.2800  -20.9300
            7   C1y C    23.7300  -18.1300
            8   C1x C    24.9200  -18.8300
            9   C1x C    24.9200  -20.2300
            10  C1x C    23.7300  -20.9300
            11  O7a O    23.7300  -16.7300
            12  C1a C    18.9000  -18.1300
            13  O5x O    21.2800  -22.3300
            14  C1b C    18.9000  -20.9300
            15  C1b C    17.7100  -20.2300
            16  N1y N    16.5200  -20.9300
            17  C1x C    16.5200  -22.3300
            18  C1x C    15.3300  -23.0300
            19  C1y C    14.1400  -22.3300
            20  C1x C    14.1400  -20.9300
            21  C1x C    15.3300  -20.2300
            22  C8y C    12.8100  -23.0300
            23  N5x N    11.6900  -22.1900
            24  O2x O    10.5700  -23.0300
            25  C8y C    10.9900  -24.3600
            26  C8y C    12.3900  -24.3600
            27  C8x C    10.2900  -25.5500
            28  C8y C    10.9900  -26.8100
            29  C8x C    12.3900  -26.8100
            30  C8x C    13.0900  -25.5500
            31  X   F    10.2900  -28.0000
            32  C7a C    22.5176  -16.0300
            33  C1b C    21.3221  -16.7204
            34  O6a O    22.5175  -14.6302
            35  C1b C    20.1347  -16.0349
            36  C1b C    18.9435  -16.7229
            37  C1b C    17.7540  -16.0362
            38  C1b C    16.5639  -16.7235
            39  C1b C    15.3738  -16.0365
            40  C1b C    14.1840  -16.7237
            41  C1b C    12.9938  -16.0366
            42  C1b C    11.8040  -16.7238
            43  C1b C    10.6138  -16.0366
            44  C1b C     9.4240  -16.7238
            45  C1b C     8.2338  -16.0366
            46  C1b C     7.0440  -16.7238
            47  C1b C     5.8538  -16.0366
            48  C1a C     4.6640  -16.7238
BOND        52
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    7  11 1 #Down
            13    2  12 1
            14    6  13 2
            15    1  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   16  21 1
            24   19  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   22  26 1
            30   25  27 2
            31   27  28 1
            32   28  29 2
            33   29  30 1
            34   26  30 2
            35   28  31 1
            36   11  32 1
            37   32  33 1
            38   32  34 2
            39   33  35 1
            40   35  36 1
            41   36  37 1
            42   37  38 1
            43   38  39 1
            44   39  40 1
            45   40  41 1
            46   41  42 1
            47   42  43 1
            48   43  44 1
            49   44  45 1
            50   45  46 1
            51   46  47 1
            52   47  48 1

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