KEGG   DRUG: Trifluperidol
Entry
D02625                      Drug                                   
Name
Trifluperidol (USAN/INN);
Triperidol (TN)
Formula
C22H23F4NO2
Exact mass
409.1665
Mol weight
409.4171
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01940  Butyrophenone derivative
Remark
ATC code: N05AD02
Chemical structure group: DG00886
Efficacy
Antipsychotic, Neuroleptic, Dopamine D2 receptor antagonist
Comment
Butyrophenone derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07031  Antipsychotics - butyrophenones
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AD Butyrophenone derivatives
     N05AD02 Trifluperidol
      D02625  Trifluperidol (USAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00886  Trifluperidol
     D02625  Trifluperidol
  DG03200  Antipsychotic agent
   DG01940  Butyrophenone derivative
    DG00886  Trifluperidol
     D02625  Trifluperidol
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D02625  Trifluperidol (USAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00886  Trifluperidol
  DG03200  Antipsychotic agent
   DG01940  Butyrophenone derivative
    DG00886  Trifluperidol
Other DBs
CAS: 749-13-3
PubChem: 17396795
LigandBox: D02625
NIKKAJI: J6.962K
LinkDB
KCF data

ATOM        29
            1   C8x C    10.8500  -17.1500
            2   C8y C    10.8500  -18.5500
            3   C8x C    12.0624  -19.2500
            4   C8x C    13.2749  -18.5500
            5   C8y C    13.2749  -17.1500
            6   C8x C    12.0624  -16.4500
            7   C5a C    14.5124  -16.4500
            8   C1b C    15.7249  -17.1500
            9   C1b C    16.9373  -16.4500
            10  C1b C    18.1497  -17.1500
            11  N1y N    19.3622  -16.4500
            12  C1x C    20.5953  -17.1622
            13  C1x C    21.8079  -16.4624
            14  C1z C    21.8081  -15.0624
            15  C1x C    20.5750  -14.3502
            16  C1x C    19.3624  -15.0500
            17  C8y C    23.0499  -14.3456
            18  C8x C    24.2491  -15.0383
            19  C8y C    25.4617  -14.3385
            20  C8x C    25.4620  -12.9385
            21  C8x C    24.2627  -12.2458
            22  C8x C    23.0502  -12.9456
            23  C1d C    26.6927  -15.0495
            24  X   F    27.9051  -15.7495
            25  X   F    27.3927  -13.8371
            26  X   F    25.9927  -16.2620
            27  O1a O    23.0205  -15.7624
            28  O5a O    14.5186  -15.0503
            29  X   F     9.6376  -19.2500
BOND        31
            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     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   11  16 1
            18   14  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   19  23 1
            26   23  24 1
            27   23  25 1
            28   23  26 1
            29   14  27 1
            30    7  28 2
            31    2  29 1

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KEGG   DRUG: Trifluperidol hydrochloride
Entry
D08637                      Drug                                   
Name
Trifluperidol hydrochloride;
Triperidol (TN)
Formula
C22H24F4NO2. Cl
Exact mass
445.1432
Mol weight
445.8781
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01940  Butyrophenone derivative
Remark
ATC code: N05AD02
Chemical structure group: DG00886
Efficacy
Antipsychotic, Neuroleptic, Dopamine D2 receptor antagonist
Comment
Butyrophenone derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07031  Antipsychotics - butyrophenones
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AD Butyrophenone derivatives
     N05AD02 Trifluperidol
      D08637  Trifluperidol hydrochloride
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00886  Trifluperidol
     D08637  Trifluperidol hydrochloride
  DG03200  Antipsychotic agent
   DG01940  Butyrophenone derivative
    DG00886  Trifluperidol
     D08637  Trifluperidol hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D08637  Trifluperidol hydrochloride
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00886  Trifluperidol
  DG03200  Antipsychotic agent
   DG01940  Butyrophenone derivative
    DG00886  Trifluperidol
Other DBs
CAS: 2062-77-3
PubChem: 96025320
LigandBox: D08637
NIKKAJI: J300.700F
LinkDB
KCF data

ATOM        30
            1   C8x C    18.3966  -19.7370
            2   C8y C    18.3966  -21.1419
            3   C8x C    19.5907  -21.8443
            4   C8x C    20.7848  -21.1419
            5   C8y C    20.7848  -19.7370
            6   C8x C    19.5907  -19.0346
            7   C5a C    22.0492  -19.0346
            8   C1b C    23.2433  -19.7370
            9   C1b C    24.4375  -19.0346
            10  C1b C    25.7018  -19.7370
            11  N2y N    26.8960  -19.0346 #+
            12  C1x C    28.1603  -19.8073
            13  C1x C    29.3544  -19.1048
            14  C1z C    29.3544  -17.7000
            15  C1x C    28.0901  -16.9975
            16  C1x C    26.8960  -17.7000
            17  C8y C    30.6188  -16.9273
            18  C8x C    31.8129  -17.6297
            19  C8y C    33.0071  -16.9273
            20  C8x C    33.0071  -15.5224
            21  C8x C    31.8129  -14.8903
            22  C8x C    30.6188  -15.5927
            23  C1d C    34.2012  -17.7000
            24  X   F    35.4656  -18.4024
            25  X   F    34.9036  -16.4356
            26  X   F    33.5690  -18.8941
            27  O1a O    30.5486  -18.4024
            28  O5a O    22.0492  -17.7000
            29  X   F    17.1322  -21.8443
            30  X   Cl   26.9127  -21.7736 #-
BOND        31
            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     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   11  16 1
            18   14  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   19  23 1
            26   23  24 1
            27   23  25 1
            28   23  26 1
            29   14  27 1
            30    7  28 2
            31    2  29 1

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