KEGG   DRUG: Trifluoperazine maleate
Entry
D01448                      Drug                                   

Name
Trifluoperazine maleate (JAN);
Trifluoperazine (TN)
Formula
C21H24F3N3S. (C4H4O4)2
Exact mass
639.1862
Mol weight
639.6399
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01905  Phenothiazine antipsychotics
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Remark
ATC code: N05AB06
Chemical structure group: DG00877
Product (DG00877): D00799<US>
Efficacy
Antipsychotic, Dopamine D2 receptor antagonist
Comment
Phenothiazine derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07029  Antipsychotics - phenothiazines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AB Phenothiazines with piperazine structure
     N05AB06 Trifluoperazine
      D01448  Trifluoperazine maleate (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D01448  Trifluoperazine maleate (JAN)
Other DBs
CAS: 605-75-4
PubChem: 7848511
ChEBI: 32259
DrugBank: DB00831
LigandBox: D01448
LinkDB
KCF data

ATOM        44
            1   C8y C    17.5418  -18.2333
            2   N1y N    18.7497  -17.5389
            3   C8y C    17.5418  -19.6278
            4   C8x C    16.3282  -17.5389
            5   C8y C    19.9750  -18.2567
            6   C1b C    18.7497  -16.1210
            7   S2x S    18.7497  -20.3163
            8   C8x C    16.3282  -20.3163
            9   C8x C    15.1203  -18.2567
            10  C8y C    19.9750  -19.6045
            11  C8x C    21.1887  -17.5565
            12  C1b C    19.9750  -15.4208
            13  C8x C    15.1203  -19.6045
            14  C8x C    21.1887  -20.3046
            15  C8y C    22.4140  -18.2683
            16  C1b C    19.9750  -14.0146
            17  C8x C    22.4140  -19.5928
            18  N1y N    21.1887  -13.3145
            19  C1x C    21.2004  -11.9140
            20  C1x C    22.3965  -14.0146
            21  C1x C    22.4140  -11.2254
            22  C1x C    23.6277  -13.3028
            23  N1y N    23.6277  -11.9374
            24  C1a C    24.8647  -11.2664
            25  C1d C    23.6161  -17.5764
            26  X   F    24.7800  -16.8700
            27  X   F    24.2900  -18.7600
            28  X   F    22.8900  -16.3800
            29  C2b C    32.6453  -16.0332
            30  C2b C    31.0108  -16.0390
            31  C6a C    33.3225  -17.2123
            32  C6a C    30.3395  -17.2240
            33  O6a O    32.6510  -18.3856
            34  O6a O    34.6884  -17.1949
            35  O6a O    28.9735  -17.2240
            36  O6a O    31.0223  -18.3973
            37  C2b C    32.6453  -16.0332
            38  C2b C    31.0108  -16.0390
            39  C6a C    30.3395  -17.2240
            40  O6a O    28.9735  -17.2240
            41  O6a O    31.0223  -18.3973
            42  C6a C    33.3225  -17.2123
            43  O6a O    32.6510  -18.3856
            44  O6a O    34.6884  -17.1949
BOND        45
            1    10  14 1
            2    11  15 2
            3    12  16 1
            4    14  17 2
            5    16  18 1
            6    18  19 1
            7    18  20 1
            8    19  21 1
            9    20  22 1
            10   21  23 1
            11   23  24 1
            12    7  10 1
            13    9  13 1
            14   15  17 1
            15   22  23 1
            16    1   2 1
            17    1   3 2
            18    1   4 1
            19    2   5 1
            20    2   6 1
            21    3   7 1
            22    3   8 1
            23    4   9 2
            24    5  10 2
            25    5  11 1
            26    6  12 1
            27    8  13 2
            28   15  25 1
            29   25  26 1
            30   25  27 1
            31   25  28 1
            32   29  30 2
            33   29  31 1
            34   30  32 1
            35   31  33 1
            36   31  34 2
            37   32  35 1
            38   32  36 2
            39   37  38 2
            40   37  42 1
            41   38  39 1
            42   42  43 1
            43   42  44 2
            44   39  40 1
            45   39  41 2
BRACKET     1    27.4400  -19.1800   27.4400  -15.1900
            1    35.3500  -15.1900   35.3500  -19.1800
            1  2
 ORIGINAL  1   29  30  32  35  36  31  33  34
 REPEAT    1   37  38  39  40  41  42  43  44

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