KEGG   DRUG: D06566Help
Entry
D06566                      Drug                                   

Name
Bifeprunox (USAN/INN);
OPC-4392
Formula
C24H23N3O2
Exact mass
385.179
Mol weight
385.4583
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Acute schizophrenia
Target
5-HT1A-receptor agonist [HSA:3350] [KO:K04153];
dopamine D2-receptor antagonist [HSA:1813] [KO:K04145]
  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
    dopamine D2-receptor
     Bifeprunox
      D06566  Bifeprunox (USAN/INN)
   Serotonin
    5-HT1A-receptor
     Bifeprunox
      D06566  Bifeprunox (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
350992-10-8
PubChem: 
LigandBox: 
KCF data Show

ATOM        29
            1   C8y C    13.8600  -11.2000
            2   C8x C    13.8600  -12.6000
            3   C8x C    15.0724  -13.3000
            4   C8x C    16.2849  -12.6000
            5   C8y C    16.2849  -11.2000
            6   C8x C    15.0724  -10.5000
            7   C1x C    18.7097  -12.6000
            8   N1y N    18.7097  -11.2000
            9   C1b C    17.4973  -10.5000
            10  C1x C    19.9222  -13.3000
            11  N1y N    21.1346  -12.6000
            12  C1x C    21.1346  -11.2000
            13  C1x C    19.9222  -10.5000
            14  C8y C    12.6476  -10.5000
            15  C8x C    12.6476   -9.1002
            16  C8x C    11.4351   -8.4002
            17  C8x C    10.2227   -9.1002
            18  C8x C    10.2227  -10.5000
            19  C8x C    11.4351  -11.2000
            20  C8y C    22.3511  -13.3023
            21  C8x C    22.3510  -14.6998
            22  C8x C    23.5634  -15.3999
            23  C8x C    24.7759  -14.6999
            24  C8y C    24.7760  -13.3024
            25  C8y C    23.5635  -12.6024
            26  N4x N    25.8164  -12.3657
            27  C8y C    25.2470  -11.0867
            28  O7x O    23.8547  -11.2330
            29  O6a O    25.9642   -9.8442
BOND        33
            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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  13 1
            15    1  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22   11  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   20  25 1
            29   24  26 1
            30   26  27 1
            31   27  28 1
            32   25  28 1
            33   27  29 2

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