KEGG   DRUG: Moperone
Entry
D02623                      Drug                                   

Name
Moperone (INN)
Formula
C22H26FNO2
Exact mass
355.1948
Mol weight
355.4457
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01940  Butyrophenone derivative
Remark
ATC code: N05AD04
Chemical structure group: DG00888
Efficacy
Antipsychotic, Dopamine D2 receptor antagonist
Comment
Butyrophenone derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04540  Gap junction
Interaction
Structure map
map07031  Antipsychotics - butyrophenones
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AD Butyrophenone derivatives
     N05AD04 Moperone
      D02623  Moperone (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00888  Moperone
     D02623  Moperone
  DG03200  Antipsychotic agent
   DG01940  Butyrophenone derivative
    DG00888  Moperone
     D02623  Moperone
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D02623  Moperone (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00888  Moperone
  DG03200  Antipsychotic agent
   DG01940  Butyrophenone derivative
    DG00888  Moperone
Other DBs
CAS: 1050-79-9
PubChem: 17396793
ChEMBL: CHEMBL2104700
LigandBox: D02623
NIKKAJI: J7.228A
LinkDB
KCF data

ATOM        26
            1   C1b C    19.8100  -17.5700
            2   C1b C    21.0700  -16.8700
            3   C1b C    22.2600  -17.5700
            4   N1y N    23.4500  -16.8700
            5   C1x C    23.4500  -15.4700
            6   C1x C    24.6400  -17.5700
            7   C1x C    24.6400  -14.7700
            8   C1x C    25.8300  -16.8700
            9   C1z C    25.8300  -15.4700
            10  C8y C    27.0200  -14.7700
            11  C8x C    27.0200  -13.3700
            12  C8x C    28.2100  -15.4700
            13  C8x C    28.2100  -12.6700
            14  C8x C    29.4000  -14.7700
            15  C8y C    29.4000  -13.4400
            16  C1a C    30.5900  -12.6700
            17  C5a C    18.6200  -16.8000
            18  C8y C    17.3600  -17.5700
            19  O5a O    18.6200  -15.4000
            20  C8x C    17.3600  -18.9700
            21  C8x C    16.1700  -19.6700
            22  C8y C    14.9100  -18.9700
            23  C8x C    14.9100  -17.5700
            24  C8x C    16.1700  -16.8000
            25  X   F    13.6500  -19.6700
            26  O1a O    27.0200  -16.1700
BOND        28
            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

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KEGG   DRUG: Moperone hydrochloride
Entry
D01105                      Drug                                   

Name
Moperone hydrochloride (JAN);
Luvatren (TN)
Formula
C22H26FNO2. HCl
Exact mass
391.1714
Mol weight
391.9067
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG03200  Antipsychotic agent
  DG01940  Butyrophenone derivative
Remark
ATC code: N05AD04
Chemical structure group: DG00888
Efficacy
Antipsychotic, Dopamine D2 receptor antagonist
Comment
Butyrophenone derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04540  Gap junction
Interaction
Structure map
map07031  Antipsychotics - butyrophenones
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AD Butyrophenone derivatives
     N05AD04 Moperone
      D01105  Moperone hydrochloride (JAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00888  Moperone
     D01105  Moperone hydrochloride
  DG03200  Antipsychotic agent
   DG01940  Butyrophenone derivative
    DG00888  Moperone
     D01105  Moperone hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D01105  Moperone hydrochloride (JAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00888  Moperone
  DG03200  Antipsychotic agent
   DG01940  Butyrophenone derivative
    DG00888  Moperone
Other DBs
CAS: 3871-82-7
PubChem: 7848168
ChEBI: 31865
LigandBox: D01105
NIKKAJI: J383.183C
LinkDB
KCF data

ATOM        27
            1   X   Cl   34.2300  -16.3100
            2   C1b C    18.0600  -17.5700
            3   C1b C    19.3200  -16.8700
            4   C1b C    20.5100  -17.5700
            5   N1y N    21.7000  -16.8700
            6   C1x C    21.7000  -15.4700
            7   C1x C    22.8900  -17.5700
            8   C1x C    22.8900  -14.7700
            9   C1x C    24.0800  -16.8700
            10  C1z C    24.0800  -15.4700
            11  C8y C    25.2700  -14.7700
            12  C8x C    25.2700  -13.3700
            13  C8x C    26.4600  -15.4700
            14  C8x C    26.4600  -12.7400
            15  C8x C    27.6500  -14.7700
            16  C8y C    27.6500  -13.4400
            17  C1a C    28.8400  -12.7400
            18  C5a C    16.8700  -16.8000
            19  C8y C    15.6100  -17.5700
            20  O5a O    16.8700  -15.4000
            21  C8x C    15.6100  -18.9700
            22  C8x C    14.4200  -19.6700
            23  C8y C    13.1600  -18.9700
            24  C8x C    13.1600  -17.5700
            25  C8x C    14.4200  -16.8000
            26  X   F    11.9700  -19.6700
            27  O1a O    25.2924  -16.1700
BOND        28
            1    10  11 1
            2    11  12 1
            3    11  13 2
            4    12  14 2
            5    13  15 1
            6    14  16 1
            7    16  17 1
            8     9  10 1
            9    15  16 2
            10    2  18 1
            11    2   3 1
            12   18  19 1
            13    3   4 1
            14   18  20 2
            15    4   5 1
            16    5   6 1
            17    5   7 1
            18    6   8 1
            19    7   9 1
            20   19  21 1
            21   21  22 2
            22   22  23 1
            23   23  24 2
            24   24  25 1
            25   25  19 2
            26    8  10 1
            27   23  26 1
            28   10  27 1

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