KEGG   DRUG: D02236Help
Entry
D02236                      Drug                                   

Name
Flupentixol dihydrochloride (JAN)
Formula
C23H25F3N2OS. 2HCl
Exact mass
506.1173
Mol weight
507.4395
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
ATC code: 
Drug group: 
Target
dopamine D2-receptor antagonist [HSA:1813] [KO:K04145];
dopamine D1-receptor antagonist [HSA:1812] [KO:K04144]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04540  Gap junction  
 
Interaction
Drug interaction
Structure map
Antipsychotics
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AF Thioxanthene derivatives
     N05AF01 Flupentixol
      D02236  Flupentixol dihydrochloride (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    dopamine D1-receptor
     Flupentixol
      D02236  Flupentixol dihydrochloride (JAN)
    dopamine D2-receptor
     Flupentixol
      D02236  Flupentixol dihydrochloride (JAN)
BRITE hierarchy
Other DBs
CAS: 
2413-38-9
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        32
            1   X   Cl   28.0631  -17.6178
            2   C8y C    14.0000  -17.9900
            3   C8y C    14.0000  -19.3900
            4   S2x S    15.2124  -20.0900
            5   C8y C    16.4249  -19.3900
            6   C8y C    16.4249  -17.9900
            7   C8y C    15.2124  -17.2900
            8   C8x C    17.6373  -20.0900
            9   C8x C    18.8498  -19.3900
            10  C8y C    18.8498  -17.9900
            11  C8x C    17.6373  -17.2900
            12  C8x C    12.7876  -17.2900
            13  C8x C    11.5751  -17.9900
            14  C8x C    11.5751  -19.3900
            15  C8x C    12.7876  -20.0900
            16  C2b C    15.1950  -15.8900
            17  C1b C    16.4099  -15.1943
            18  C1b C    16.4148  -13.7943
            19  N1y N    17.6298  -13.0986
            20  C1x C    18.8435  -13.8052
            21  C1x C    20.0585  -13.1095
            22  N1y N    20.0635  -11.7096
            23  C1x C    18.8497  -11.0030
            24  C1x C    17.6348  -11.6986
            25  C1b C    21.3024  -10.9900
            26  C1b C    22.5149  -11.6900
            27  O1a O    23.7273  -10.9900
            28  C1d C    20.0473  -17.2985
            29  X   F    21.2597  -16.5985
            30  X   F    20.7473  -18.5109
            31  X   F    19.3473  -16.0860
            32  X   Cl   28.0631  -17.6178
BOND        33
            1     2   3 2
            2     3   4 1
            3     4   5 1
            4     5   6 2
            5     6   7 1
            6     2   7 1
            7     5   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11    6  11 1
            12    2  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16    3  15 1
            17    7  16 2
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   19  24 1
            27   22  25 1
            28   25  26 1
            29   26  27 1
            30   10  28 1
            31   28  29 1
            32   28  30 1
            33   28  31 1
BRACKET     1    26.3900  -18.8300   26.3900  -16.3800
            1    28.9800  -16.3800   28.9800  -18.8300
            1  2
 ORIGINAL  1    1
 REPEAT    1   32

» Japanese version   » Back

DBGET integrated database retrieval system