KEGG   DRUG: D02372Help
Entry
D02372                      Drug                                   
Name
Perospirone hydrochloride hydrate (JAN);
Lullan (TN)
Formula
C23H30N4O2S. 2H2O. HCl
Exact mass
498.2068
Mol weight
499.0664
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antipsychotics
Remark
Therapeutic category: 
Comment
Serotonin-dopamine antagonists (SDA)
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  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
Serotonin receptor agonists/antagonists
Dopamine receptor agonists/antagonists
Brite
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
     D02372  Perospirone hydrochloride hydrate (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    dopamine D2-receptor [HSA:1813] [KO:K04145]
     Perospirone
      D02372  Perospirone hydrochloride hydrate (JAN)
   Serotonin
    5-HT2A-receptor [HSA:3356] [KO:K04157]
     Perospirone
      D02372  Perospirone hydrochloride hydrate (JAN)
BRITE hierarchy
Other DBs
PubChem: 
LigandBox: 
KCF data Show

ATOM        33
            1   C1x C    10.0800  -16.9400
            2   N1y N    10.0800  -18.3400
            3   C1x C    11.2924  -19.0400
            4   C1x C    12.5049  -18.3400
            5   N1y N    12.5049  -16.9400
            6   C1x C    11.2924  -16.2400
            7   C8y C     8.8676  -19.0400
            8   N5x N     7.7548  -18.2206
            9   S2x S     6.6360  -19.0276
            10  C8y C     7.0578  -20.3410
            11  C8y C     8.4373  -20.3458
            12  C1b C    13.7360  -16.2290
            13  C1b C    14.9412  -16.9247
            14  C1b C    16.1235  -16.2419
            15  C1b C    17.3175  -16.9312
            16  N1y N    18.5054  -16.2452
            17  C5x C    19.3019  -17.3734
            18  C1y C    20.6813  -16.9550
            19  C1y C    20.6180  -15.5803
            20  C5x C    19.3128  -15.1492
            21  C1x C    21.8203  -17.6609
            22  C1x C    23.0362  -16.9668
            23  C1x C    23.0429  -15.5922
            24  C1x C    21.8339  -14.8863
            25  C8x C     6.3537  -21.5511
            26  C8x C     7.0495  -22.7659
            27  C8x C     8.4290  -22.7706
            28  C8x C     9.1331  -21.5606
            29  O5x O    18.8797  -13.7910
            30  O5x O    18.8534  -18.6799
            31  X   Cl   14.4900  -21.2800
            32  O0  O    19.5300  -21.2100
            33  O0  O    19.5300  -21.2100
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    7  11 1
            13    5  12 1
            14   12  13 1
            15   13  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   16  20 1
            23   18  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   19  24 1
            28   10  25 2
            29   25  26 1
            30   26  27 2
            31   27  28 1
            32   11  28 2
            33   20  29 2
            34   17  30 2
BRACKET     1    17.5700  -22.1900   17.5700  -20.3700
            1    20.1600  -20.3700   20.1600  -22.1900
            1  2
 ORIGINAL  1   34
 REPEAT    1   35

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