KEGG   DRUG: DomperidoneHelp
Entry
D01745                      Drug                                   

Name
Domperidone (JP17/USAN/INN);
Motilium (TN)
Formula
C22H24ClN5O2
Exact mass
425.1619
Mol weight
425.9113
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Gastrointestinal agent
 DG01763  Propulsive
 DG01762  Antiemetic
Enzyme substrate
 DG01633  CYP3A substrate
Remark
Therapeutic category: 2399
ATC code: A03FA03
Chemical structure group: DG00057
Product (DG00057): D01745<JP>
Efficacy
Anti-emetic, Prokinetic, Dopamine D2 receptor antagonist
Comment
Benzamide derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
map07213  Dopamine receptor agonists/antagonists
Other map
map04976  Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03F PROPULSIVES
    A03FA Propulsives
     A03FA03 Domperidone
      D01745  Domperidone (JP17/USAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2399  Others
     D01745  Domperidone (JP17/USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D01745  Domperidone (JP17/USAN/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01745  Domperidone
Drug classes of therapeutic agents [br08360.html]
 Gastrointestinal agents
  D01745
Rx-to-OTC switch list in Japan [br08314.html]
 D01745
BRITE hierarchy
Other DBs
CAS: 57808-66-9
PubChem: 7848808
ChEBI: 31515
ChEMBL: CHEMBL219916
DrugBank: DB01184
LigandBox: D01745
NIKKAJI: J3.199B
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1x C    33.2500  -28.4200
            2   C1y C    33.2500  -29.8200
            3   C1x C    34.4624  -30.5200
            4   C1x C    35.6749  -29.8200
            5   N1y N    35.6749  -28.4200
            6   C1x C    34.4624  -27.7200
            7   N4y N    32.0376  -30.5200
            8   C1b C    36.9060  -27.7090
            9   C1b C    38.1112  -28.4047
            10  C1b C    39.2935  -27.7219
            11  N4y N    40.4875  -28.4112
            12  C8y C    30.9024  -29.7327
            13  N4x N    29.8066  -30.5707
            14  C8y C    30.2649  -31.8718
            15  C8y C    31.6440  -31.8379
            16  C8x C    29.5949  -33.1010
            17  C8y C    30.3244  -34.2259
            18  C8x C    31.7035  -34.2621
            19  C8x C    32.3735  -33.0328
            20  X   Cl   29.6349  -35.4565
            21  O5x O    30.8698  -28.3500
            22  C8y C    40.8974  -29.7499
            23  N4x N    42.3028  -29.7732
            24  C8y C    42.7593  -28.4437
            25  C8y C    41.6359  -27.5989
            26  O5x O    40.0495  -30.8770
            27  C8x C    44.1489  -27.7737
            28  C8x C    44.1446  -26.3737
            29  C8x C    42.9251  -25.6747
            30  C8x C    41.6449  -26.3785
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    7  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16    7  15 1
            17   14  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   15  19 2
            22   17  20 1
            23   12  21 2
            24   11  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   11  25 1
            29   22  26 2
            30   24  27 2
            31   27  28 1
            32   28  29 2
            33   29  30 1
            34   25  30 2

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