KEGG   DRUG: D06567Help
Entry
D06567                      Drug                                   

Name
Bifeprunox mesylate (USAN)
Formula
C24H23N3O2. CH4SO3
Exact mass
481.1671
Mol weight
481.564
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of acute schizophrenia [partial D2 antagonist/5HT1A agonist]
Remark
Drug group: 
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  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    dopamine D2-receptor
     Bifeprunox
      D06567  Bifeprunox mesylate (USAN)
   Serotonin
    5-HT1A-receptor
     Bifeprunox
      D06567  Bifeprunox mesylate (USAN)
BRITE hierarchy
Other DBs
CAS: 
350992-13-1
PubChem: 
LigandBox: 
KCF data Show

ATOM        34
            1   C8y C    21.7598  -16.0918
            2   C8x C    21.7598  -17.4907
            3   C8x C    22.9713  -18.1902
            4   C8x C    24.1829  -17.4907
            5   C8y C    24.1829  -16.0918
            6   C8x C    22.9713  -15.3923
            7   C1x C    26.6060  -17.4907
            8   N1y N    26.6060  -16.0918
            9   C1b C    25.3944  -15.3923
            10  C1x C    27.8176  -18.1902
            11  N1y N    29.0291  -17.4907
            12  C1x C    29.0291  -16.0918
            13  C1x C    27.8176  -15.3923
            14  C8y C    20.5483  -15.3923
            15  C8x C    20.5483  -13.9935
            16  C8x C    19.3367  -13.2940
            17  C8x C    18.1252  -13.9935
            18  C8x C    18.1252  -15.3923
            19  C8x C    19.3367  -16.0918
            20  C8y C    30.2447  -18.1925
            21  C8x C    30.2446  -19.5890
            22  C8x C    31.4561  -20.2886
            23  C8x C    32.6677  -19.5891
            24  C8y C    32.6678  -18.1926
            25  C8y C    31.4562  -17.4931
            26  N4x N    33.7074  -17.2566
            27  C8y C    33.1385  -15.9786
            28  O7x O    31.7472  -16.1247
            29  O6a O    33.8551  -14.7370
            30  O1d O    38.6623  -15.9769
            31  S4a S    38.6623  -17.3770
            32  C1a C    37.2623  -17.3770
            33  O1d O    40.0623  -17.3770
            34  O1d O    38.6623  -18.7769
BOND        37
            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
            34   30  31 2
            35   31  32 1
            36   31  33 1
            37   31  34 2

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