KEGG   DRUG: Bromperidol decanoateHelp
Entry
D02626                      Drug                                   

Name
Bromperidol decanoate (USAN)
Formula
C31H41BrFNO3
Exact mass
573.2254
Mol weight
574.5645
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Neuropsychiatric agent
 DG01940  Butyrophenone derivative
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Cyp substrate
 DG01633  CYP3A4 substrate
Remark
ATC code: 
Chemical group: 
Activity
Antipsychotic, Dopamine D2 receptor antagonist
Comment
Butyrophenone derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
Neuroactive ligand-receptor interaction
Gap junction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
Butyrophenones
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AD Butyrophenone derivatives
     N05AD06 Bromperidol
      D02626  Bromperidol decanoate (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    dopamine D2-receptor
     Bromperidol
      D02626  Bromperidol decanoate (USAN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP3A4
   Bromperidol
    D02626  Bromperidol decanoate (USAN)
BRITE hierarchy
Other DBs
CAS: 
75067-66-2
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        37
            1   C1b C    21.9180  -16.5412
            2   C1b C    23.0946  -15.8490
            3   C1b C    24.2712  -16.5412
            4   N1y N    25.5170  -15.8490
            5   C1x C    25.5170  -14.4647
            6   C1x C    26.6937  -16.5412
            7   C1x C    26.6937  -13.7726
            8   C1x C    27.8704  -15.8490
            9   C1z C    27.8704  -14.4647
            10  C8y C    29.0469  -13.7726
            11  C8x C    29.0469  -12.3883
            12  C8x C    30.2236  -14.4647
            13  C8x C    30.2236  -11.6962
            14  C8x C    31.4002  -13.7726
            15  C8y C    31.4002  -12.3883
            16  X   Br   32.6461  -11.6962
            17  C5a C    20.6721  -15.8490
            18  C8y C    19.4955  -16.5412
            19  O5a O    20.6721  -14.3955
            20  C8x C    19.4955  -17.9254
            21  C8x C    18.2496  -18.6176
            22  C8y C    17.0729  -17.9254
            23  C8x C    17.0729  -16.5412
            24  C8x C    18.2496  -15.8490
            25  X   F    15.7579  -18.6176
            26  O7a O    29.0469  -15.1569
            27  C7a C    29.0469  -16.5412
            28  O6a O    27.8482  -17.2332
            29  C1b C    30.2457  -17.2332
            30  C1b C    31.5833  -16.5412
            31  C1a C    33.1287  -17.2332
            32  C1b C    30.2457  -17.2332
            33  C1b C    31.5833  -16.5412
            34  C1b C    30.2457  -17.2332
            35  C1b C    31.5833  -16.5412
            36  C1b C    30.2457  -17.2332
            37  C1b C    31.5833  -16.5412
BOND        39
            1     9  10 1
            2    10  11 1
            3    10  12 2
            4    11  13 2
            5    12  14 1
            6    13  15 1
            7    15  16 1
            8     8   9 1
            9    14  15 2
            10    1  17 1
            11    1   2 1
            12   17  18 1
            13    2   3 1
            14   17  19 2
            15    3   4 1
            16    4   5 1
            17    4   6 1
            18    5   7 1
            19    6   8 1
            20   18  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   23  24 1
            25   24  18 2
            26    7   9 1
            27   22  25 1
            28    9  26 1
            29   26  27 1
            30   27  28 2
            31   27  29 1
            32   29  30 1
            33   30  32 1
            34   32  33 1
            35   33  34 1
            36   34  35 1
            37   35  36 1
            38   36  37 1
            39   37  31 1
BRACKET     1    29.8900  -17.9900   29.8900  -16.2400
            1    31.6400  -16.2400   31.6400  -17.9900
            1  4
 ORIGINAL  1   29  30
 REPEAT    1   32  33  34  35  36  37

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