KEGG   DRUG: Metoclopramide hydrochloride
Entry
D05008                      Drug                                   
Name
Metoclopramide hydrochloride (USP);
Metoclopramide monohydrochloride monohydrate;
Clopra (TN);
Reglan (TN)
Product
  Generic
Formula
C14H22ClN3O2. HCl. H2O
Exact mass
353.1273
Mol weight
354.2726
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Gastrointestinal agent
 DG01763  Propulsive
 DG01489  5-HT3-receptor antagonist
 DG01762  Antiemetic
  DG01783  Benzamide type antiemetic
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
ATC code: A03FA01
Chemical structure group: DG00055
Product (DG00055): D00726<JP> D02213<JP> D05008<US>
Efficacy
Anti-emetic, Prokinetic, Dopamine D2 receptor antagonist
  Disease
Gastroesophageal reflux [DS:H01602]
Comment
Benzamide derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Structure map
map07028  Antipsychotics
map07048  Antimigraines
map07211  Serotonin receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03F PROPULSIVES
    A03FA Propulsives
     A03FA01 Metoclopramide
      D05008  Metoclopramide hydrochloride (USP) <US>
USP drug classification [BR:br08302]
 Antiemetics
  Antiemetics, Other
   Metoclopramide
    D05008  Metoclopramide hydrochloride (USP)
 Gastrointestinal Agents
  Gastrointestinal Agents, Other
   Metoclopramide
    D05008  Metoclopramide hydrochloride (USP)
Animal drugs in Japan [BR:br08331]
 93  Agents affecting digestive organs
  932  Antistomach, antidiarrhoics (including absorptives, antidiarrhoics, antibububble and preparations)
   9329  Other antistomach, antidiarrhoics and preparations
    D05008  Metoclopramide hydrochloride
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00055  Metoclopramide
     D05008  Metoclopramide hydrochloride
 Gastrointestinal agent
  DG01763  Propulsive
   DG00055  Metoclopramide
    D05008  Metoclopramide hydrochloride
  DG01489  5-HT3-receptor antagonist
   DG00055  Metoclopramide
    D05008  Metoclopramide hydrochloride
  DG01762  Antiemetic
   DG01783  Benzamide type antiemetic
    DG00055  Metoclopramide
     D05008  Metoclopramide hydrochloride
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00055  Metoclopramide
    D05008  Metoclopramide hydrochloride
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00055  Metoclopramide
    D05008  Metoclopramide hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D05008  Metoclopramide hydrochloride (USP) <US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D05008
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D05008
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    DG00055  Metoclopramide
 Gastrointestinal agent
  DG01763  Propulsive
   DG00055  Metoclopramide
  DG01489  5-HT3-receptor antagonist
   DG00055  Metoclopramide
  DG01762  Antiemetic
   DG01783  Benzamide type antiemetic
    DG00055  Metoclopramide
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00055  Metoclopramide
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00055  Metoclopramide
Other DBs
CAS: 54143-57-6
PubChem: 47206735
ChEBI: 6899
LigandBox: D05008
NIKKAJI: J1.592.759C
KCF data

ATOM        22
            1   C8y C    20.4459  -16.5247
            2   C8y C    20.4459  -15.1244
            3   C8x C    19.2556  -17.2249
            4   C5a C    21.7062  -17.2249
            5   C8x C    19.2556  -14.4243
            6   O2a O    21.7062  -14.4243
            7   C8y C    18.0654  -16.5247
            8   N1b N    22.8965  -16.5247
            9   O5a O    21.7062  -18.6252
            10  C8y C    18.0654  -15.1244
            11  C1a C    22.8965  -15.1244
            12  X   Cl   16.8751  -17.2249
            13  C1b C    24.1567  -17.2249
            14  N1a N    16.8751  -14.4243
            15  C1b C    25.3470  -16.5247
            16  N1c N    26.5373  -17.2249
            17  C1b C    27.7976  -16.5247
            18  C1b C    26.5373  -18.6252
            19  C1a C    28.9878  -17.2249
            20  C1a C    27.7976  -19.3254
            21  X   Cl   33.3900  -15.4700
            22  O0  O    33.8100  -17.7800
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13   10  14 1
            14   13  15 1
            15   15  16 1
            16   16  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20    7  10 2

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