KEGG   DRUG: Haloperidol decanoate
Entry
D01898                      Drug                                   
Name
Haloperidol decanoate (JAN/USP);
Halomonth (TN)
Product
  Generic
Formula
C31H41ClFNO3
Exact mass
529.2759
Mol weight
530.1135
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01940  Butyrophenone derivative
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 1179
ATC code: N05AD01
Chemical structure group: DG00885
Product (DG00885): D00136<JP/US> D01898<JP/US> D08035<US>
Efficacy
Antipsychotic, Neuroleptic, Dopamine D2 receptor antagonist
  Disease
Schizophrenia [DS:H01649]
Comment
Butyrophenone derivative
Active form of prodrug: Haloperidol [DR:D00136]
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565], CYP3A4 [HSA:1576]
Interaction
Structure map
map07031  Antipsychotics - butyrophenones
map07213  Dopamine receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AD Butyrophenone derivatives
     N05AD01 Haloperidol
      D01898  Haloperidol decanoate (JAN/USP) <JP/US>
USP drug classification [BR:br08302]
 Antipsychotics
  1st Generation/Typical
   Haloperidol
    D01898  Haloperidol decanoate (JAN/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1179  Others
     D01898  Haloperidol decanoate (JAN/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00885  Haloperidol
     D01898  Haloperidol decanoate
  DG03200  Antipsychotic agent
   DG01940  Butyrophenone derivative
    DG00885  Haloperidol
     D01898  Haloperidol decanoate
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00885  Haloperidol
    D01898  Haloperidol decanoate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00885  Haloperidol
     D01898  Haloperidol decanoate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D01898  Haloperidol decanoate (JAN/USP) <JP/US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01898
Prodrugs [br08324.html]
 D01898
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00885  Haloperidol
  DG03200  Antipsychotic agent
   DG01940  Butyrophenone derivative
    DG00885  Haloperidol
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00885  Haloperidol
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00885  Haloperidol
Prodrugs [br08324.html]
 DG00885
Other DBs
CAS: 74050-97-8
PubChem: 7848960
ChEBI: 31664
LigandBox: D01898
NIKKAJI: J12.121E
LinkDB
KCF data

ATOM        37
            1   C1b C    16.3100  -17.5700
            2   C1b C    17.5000  -16.8700
            3   C1b C    18.6900  -17.5700
            4   N1y N    19.9500  -16.8700
            5   C1x C    19.9500  -15.4700
            6   C1x C    21.1400  -17.5700
            7   C1x C    21.1400  -14.7700
            8   C1x C    22.3300  -16.8700
            9   C1z C    22.3300  -15.4700
            10  C8y C    23.5900  -14.7700
            11  C8x C    23.5900  -13.4400
            12  C8x C    24.7800  -15.4700
            13  C8x C    24.7800  -12.7400
            14  C8x C    25.9700  -14.8400
            15  C8y C    25.9700  -13.4400
            16  X   Cl   27.1600  -12.7400
            17  C5a C    15.0500  -16.8700
            18  C8y C    13.7900  -17.5700
            19  O5a O    15.0500  -15.4000
            20  C8x C    13.7900  -18.9700
            21  C8x C    12.6000  -19.6700
            22  C8y C    11.3400  -18.9700
            23  C8x C    11.3400  -17.5700
            24  C8x C    12.6000  -16.8700
            25  X   F    10.0800  -19.6700
            26  O7a O    23.5200  -16.1700
            27  C7a C    23.5200  -17.5700
            28  C1b C    24.7100  -18.2700
            29  O6a O    22.2600  -18.2700
            30  C1b C    25.9000  -17.6400
            31  C1b C    27.0900  -18.2700
            32  C1b C    28.2800  -17.6400
            33  C1b C    29.4700  -18.2700
            34  C1b C    30.8000  -17.6400
            35  C1b C    31.9900  -18.2700
            36  C1b C    33.1800  -17.6400
            37  C1a C    34.3700  -18.2700
BOND        39
            1     1  17 1
            2     1   2 1
            3    17  18 1
            4     2   3 1
            5    17  19 2
            6     3   4 1
            7     4   5 1
            8     4   6 1
            9     5   7 1
            10    6   8 1
            11   18  20 1
            12   20  21 2
            13   21  22 1
            14   22  23 2
            15   23  24 1
            16   24  18 2
            17    7   9 1
            18   22  25 1
            19    9  10 1
            20   10  11 1
            21   10  12 2
            22   11  13 2
            23   12  14 1
            24   13  15 1
            25   15  16 1
            26    8   9 1
            27   14  15 2
            28    9  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 2
            32   28  30 1
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 1

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