KEGG   DRUG: MetoclopramideHelp
Entry
D00726                      Drug                                   

Name
Metoclopramide (JP17/INN);
Elieten (TN);
Terperan (TN)
Formula
C14H22ClN3O2
Exact mass
299.1401
Mol weight
299.7964
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Gastrointestinal agent
 DG01763  Propulsive
 DG01762  Antiemetic
  DG01783  Benzamide type antiemetic
Other
 DG01489  5-HT3-receptor antagonist
Enzyme substrate
 DG01644  CYP2D6 substrate
Enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Same as: C07868
Therapeutic category: 2399
ATC code: A03FA01
Chemical structure group: DG00055
Product (DG00055): D00726<JP> D02213<JP> D05008<US>
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: CYP2D6 [HSA:1565]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Drug interaction
Structure map
map07028  Antipsychotics
map07048  Antimigraines
map07211  Serotonin receptor agonists/antagonists
map07213  Dopamine 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
      D00726  Metoclopramide (JP17/INN) <JP>
USP drug classification [BR:br08302]
 Antiemetics
  Antiemetics, Other
   Metoclopramide
    D00726  Metoclopramide (JP17/INN)
 Gastrointestinal Agents
  Gastrointestinal Agents, Other
   Metoclopramide
    D00726  Metoclopramide (JP17/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2399  Others
     D00726  Metoclopramide (JP17/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D00726  Metoclopramide (JP17/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00726  Metoclopramide
  D00726  Metoclopramide tablets
Drug classes of therapeutic agents [br08360.html]
 Gastrointestinal agents
  D00726
BRITE hierarchy
Other DBs
CAS: 364-62-5
PubChem: 7847791
ChEBI: 107736
ChEMBL: CHEMBL86
DrugBank: DB01233
LigandBox: D00726
NIKKAJI: J2.037K
KCF data Show

ATOM        20
            1   C8y C    27.1658  -16.8047
            2   C8y C    27.1658  -15.4044
            3   C8x C    25.9755  -17.5049
            4   C5a C    28.4261  -17.5049
            5   C8x C    25.9755  -14.7043
            6   O2a O    28.4261  -14.7043
            7   C8y C    24.7854  -16.8047
            8   N1b N    29.6164  -16.8047
            9   O5a O    28.4261  -18.9052
            10  C8y C    24.7854  -15.4044
            11  C1a C    29.6164  -15.4044
            12  X   Cl   23.5951  -17.5049
            13  C1b C    30.8766  -17.5049
            14  N1a N    23.5951  -14.7043
            15  C1b C    32.0669  -16.8047
            16  N1c N    33.2572  -17.5049
            17  C1b C    34.5175  -16.8047
            18  C1b C    33.2572  -18.9052
            19  C1a C    35.7077  -17.5049
            20  C1a C    34.5175  -19.6053
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

» Japanese version   » Back

KEGG   DRUG: Metoclopramide hydrochlorideHelp
Entry
D02213                      Drug                                   

Name
Metoclopramide hydrochloride (JAN);
Metoclopramide dihydrochloride monohydrate;
Primperan (TN);
Reglan (TN)
Formula
C14H22ClN3O2. 2HCl. H2O
Exact mass
389.104
Mol weight
390.7335
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Gastrointestinal agent
 DG01763  Propulsive
 DG01762  Antiemetic
  DG01783  Benzamide type antiemetic
Other
 DG01489  5-HT3-receptor antagonist
Enzyme substrate
 DG01644  CYP2D6 substrate
Enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Therapeutic category: 2399
ATC code: A03FA01
Chemical structure group: DG00055
Product (DG00055): D00726<JP> D02213<JP> D05008<US>
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: CYP2D6 [HSA:1565]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Drug interaction
Structure map
map07028  Antipsychotics
map07048  Antimigraines
map07211  Serotonin receptor agonists/antagonists
map07213  Dopamine 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
      D02213  Metoclopramide hydrochloride (JAN) <JP>
USP drug classification [BR:br08302]
 Antiemetics
  Antiemetics, Other
   Metoclopramide
    D02213  Metoclopramide hydrochloride (JAN)
 Gastrointestinal Agents
  Gastrointestinal Agents, Other
   Metoclopramide
    D02213  Metoclopramide hydrochloride (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2399  Others
     D02213  Metoclopramide hydrochloride (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D02213  Metoclopramide hydrochloride (JAN) <JP>
Drug classes of therapeutic agents [br08360.html]
 Gastrointestinal agents
  D02213
BRITE hierarchy
Other DBs
CAS: 5581-45-3
PubChem: 7849273
ChEBI: 60906
DrugBank: DB01233
LigandBox: D02213
KCF data Show

ATOM        23
            1   C8y C    26.6059  -16.8048
            2   C8y C    26.6059  -15.4045
            3   C8x C    25.4156  -17.5050
            4   C5a C    27.8662  -17.5050
            5   C8x C    25.4156  -14.7044
            6   O2a O    27.8662  -14.7044
            7   C8y C    24.2255  -16.8048
            8   N1b N    29.0566  -16.8048
            9   O5a O    27.8662  -18.9053
            10  C8y C    24.2255  -15.4045
            11  C1a C    29.0566  -15.4045
            12  X   Cl   23.0352  -17.5050
            13  C1b C    30.3168  -17.5050
            14  N1a N    23.0352  -14.7044
            15  C1b C    31.5071  -16.8048
            16  N1c N    32.6974  -17.5050
            17  C1b C    33.9577  -16.8048
            18  C1b C    32.6974  -18.9053
            19  C1a C    35.1479  -17.5050
            20  C1a C    33.9577  -19.6054
            21  X   Cl   39.5501  -15.7501
            22  O0  O    39.9701  -18.0601
            23  X   Cl   39.5501  -15.7501
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
BRACKET     1    38.0100  -16.7300   38.0100  -14.8400
            1    40.3900  -14.8400   40.3900  -16.7300
            1  2
 ORIGINAL  1   21
 REPEAT    1   23

» Japanese version   » Back

KEGG   DRUG: Metoclopramide hydrochlorideHelp
Entry
D02213                      Drug                                   

Name
Metoclopramide hydrochloride (JAN);
Metoclopramide dihydrochloride monohydrate;
Primperan (TN);
Reglan (TN)
Formula
C14H22ClN3O2. 2HCl. H2O
Exact mass
389.104
Mol weight
390.7335
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Gastrointestinal agent
 DG01763  Propulsive
 DG01762  Antiemetic
  DG01783  Benzamide type antiemetic
Other
 DG01489  5-HT3-receptor antagonist
Enzyme substrate
 DG01644  CYP2D6 substrate
Enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Therapeutic category: 2399
ATC code: A03FA01
Chemical structure group: DG00055
Product (DG00055): D00726<JP> D02213<JP> D05008<US>
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: CYP2D6 [HSA:1565]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Drug interaction
Structure map
map07028  Antipsychotics
map07048  Antimigraines
map07211  Serotonin receptor agonists/antagonists
map07213  Dopamine 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
      D02213  Metoclopramide hydrochloride (JAN) <JP>
USP drug classification [BR:br08302]
 Antiemetics
  Antiemetics, Other
   Metoclopramide
    D02213  Metoclopramide hydrochloride (JAN)
 Gastrointestinal Agents
  Gastrointestinal Agents, Other
   Metoclopramide
    D02213  Metoclopramide hydrochloride (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2399  Others
     D02213  Metoclopramide hydrochloride (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D02213  Metoclopramide hydrochloride (JAN) <JP>
Drug classes of therapeutic agents [br08360.html]
 Gastrointestinal agents
  D02213
BRITE hierarchy
Other DBs
CAS: 5581-45-3
PubChem: 7849273
ChEBI: 60906
DrugBank: DB01233
LigandBox: D02213
KCF data Show

ATOM        23
            1   C8y C    26.6059  -16.8048
            2   C8y C    26.6059  -15.4045
            3   C8x C    25.4156  -17.5050
            4   C5a C    27.8662  -17.5050
            5   C8x C    25.4156  -14.7044
            6   O2a O    27.8662  -14.7044
            7   C8y C    24.2255  -16.8048
            8   N1b N    29.0566  -16.8048
            9   O5a O    27.8662  -18.9053
            10  C8y C    24.2255  -15.4045
            11  C1a C    29.0566  -15.4045
            12  X   Cl   23.0352  -17.5050
            13  C1b C    30.3168  -17.5050
            14  N1a N    23.0352  -14.7044
            15  C1b C    31.5071  -16.8048
            16  N1c N    32.6974  -17.5050
            17  C1b C    33.9577  -16.8048
            18  C1b C    32.6974  -18.9053
            19  C1a C    35.1479  -17.5050
            20  C1a C    33.9577  -19.6054
            21  X   Cl   39.5501  -15.7501
            22  O0  O    39.9701  -18.0601
            23  X   Cl   39.5501  -15.7501
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
BRACKET     1    38.0100  -16.7300   38.0100  -14.8400
            1    40.3900  -14.8400   40.3900  -16.7300
            1  2
 ORIGINAL  1   21
 REPEAT    1   23

» Japanese version   » Back

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