KEGG   DRUG: Bromperidol decanoate
Entry
D02626                      Drug                                   

Name
Bromperidol decanoate (USAN)
Formula
C31H41BrFNO3
Exact mass
573.2254
Mol weight
574.5645
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01940  Butyrophenone derivative
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: N05AD06
Chemical structure group: DG00890
Product (DG00890): D01101<JP>
Efficacy
Antipsychotic, Dopamine D2 receptor antagonist
Comment
Butyrophenone derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07031  Antipsychotics - 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)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00890  Bromperidol
     D02626  Bromperidol decanoate
  DG03200  Antipsychotic agent
   DG01940  Butyrophenone derivative
    DG00890  Bromperidol
     D02626  Bromperidol decanoate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00890  Bromperidol
     D02626  Bromperidol decanoate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D02626  Bromperidol decanoate (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02626
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00890  Bromperidol
  DG03200  Antipsychotic agent
   DG01940  Butyrophenone derivative
    DG00890  Bromperidol
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00890  Bromperidol
Other DBs
CAS: 75067-66-2
PubChem: 17396796
ChEMBL: CHEMBL2106135
LigandBox: D02626
NIKKAJI: J11.644K
LinkDB
KCF data

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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