KEGG   DRUG: Flupentixol dihydrochlorideHelp
Entry
D02236                      Drug                                   

Name
Flupentixol dihydrochloride (JAN)
Formula
C23H25F3N2OS. 2HCl
Exact mass
506.1173
Mol weight
507.4395
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01473  Dopamine D1-receptor antagonist
  DG01474  Dopamine D2-receptor antagonist
Remark
ATC code: 
Chemical group: 
Target
DRD2 [HSA:1813] [KO:K04145];
DRD1 [HSA:1812] [KO:K04144]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
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

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