KEGG   DRUG: OcaperidoneHelp
Entry
D02675                      Drug                                   

Name
Ocaperidone (USAN)
Formula
C24H25FN4O2
Exact mass
420.1962
Mol weight
420.4793
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Antipsychotic
Comment
Risperidone derivative
Target
DRD2 [HSA:1813] [KO:K04145]
HTR2 [HSA:3356 3357 3358] [KO:K04157]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D02675  Ocaperidone (USAN)
   Serotonin
    HTR2
     D02675  Ocaperidone (USAN)
BRITE hierarchy
Other DBs
CAS: 129029-23-8
PubChem: 17396844
ChEMBL: CHEMBL2104619
LigandBox: D02675
NIKKAJI: J458.187C
LinkDB All DBs
KCF data Show

ATOM        31
            1   C1x C    20.0200  -19.2500
            2   C1y C    20.0200  -20.6500
            3   C1x C    21.2324  -21.3500
            4   C1x C    22.4449  -20.6500
            5   N1y N    22.4449  -19.2500
            6   C1x C    21.2324  -18.5500
            7   C8y C    18.8076  -21.3500
            8   N5x N    17.6811  -20.5500
            9   O2x O    16.5762  -21.3759
            10  C8y C    17.0202  -22.6820
            11  C8y C    18.3995  -22.6633
            12  C8x C    16.3367  -23.9038
            13  C8y C    17.0531  -25.0366
            14  C8x C    18.4324  -25.0879
            15  C8x C    19.1159  -23.8661
            16  X   F    16.3517  -26.2556
            17  C1b C    23.6760  -18.5390
            18  C1b C    24.8812  -19.2347
            19  C8y C    26.0635  -18.5519
            20  C8y C    27.2575  -19.2412
            21  N4y N    28.4699  -18.5412
            22  C8y C    28.4699  -17.1412
            23  N5x N    27.2760  -16.4519
            24  C8y C    26.0635  -17.1519
            25  C1a C    24.8327  -16.4411
            26  O5x O    27.2576  -20.6497
            27  C8x C    29.6823  -19.2412
            28  C8x C    30.8948  -18.5412
            29  C8x C    30.8948  -17.1412
            30  C8y C    29.6824  -16.4412
            31  C1a C    29.6823  -15.0500
BOND        35
            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   10  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   11  15 2
            18   13  16 1
            19    5  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   19  24 2
            28   24  25 1
            29   20  26 2
            30   21  27 1
            31   27  28 2
            32   28  29 1
            33   29  30 2
            34   22  30 1
            35   30  31 1

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