KEGG   DRUG: Trimebutine maleateHelp
Entry
D01500                      Drug                                   

Name
Trimebutine maleate (JP17);
Cerekinon (TN)
Formula
C22H29NO5. C4H4O4
Exact mass
503.2155
Mol weight
503.5415
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Analgesic
 DG01587  Opioid receptor agonist/antagonist
Remark
Therapeutic category: 2399
ATC code: A03AA05
Chemical structure group: DG00031
Product (DG00031): D01500<JP>
Efficacy
Antispasmodic
Target
OPRM1 [HSA:4988] [KO:K04215]
OPRK1 [HSA:4986] [KO:K04214]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03A DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
    A03AA Synthetic anticholinergics, esters with tertiary amino group
     A03AA05 Trimebutine
      D01500  Trimebutine maleate (JP17) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2399  Others
     D01500  Trimebutine maleate (JP17)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for digestive organs
  20 Other drugs for digestive organs
   D01500  Trimebutine maleate (JP17)
Risk category of Japanese OTC drugs [BR:br08312]
 First-class OTC drugs
  Inorganic and organic chemicals
   Trimebutine
    D01500  Trimebutine maleate (JP17)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Trimebutine
    D01500  Trimebutine maleate (JP17)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D01500  Trimebutine maleate (JP17) <JP>
    OPRK1
     D01500  Trimebutine maleate (JP17) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01500  Trimebutine maleate
Rx-to-OTC switch list in Japan [br08314.html]
 D01500
BRITE hierarchy
Other DBs
CAS: 34140-59-5
PubChem: 7848563
ChEBI: 32261
ChEMBL: CHEMBL1325297
LigandBox: D01500
NIKKAJI: J290.591D
KCF data Show

ATOM        36
            1   C6a C    31.2900  -21.2800
            2   C2b C    30.6600  -20.0900
            3   O6a O    30.7300  -22.4700
            4   O6a O    32.6900  -21.2800
            5   C2b C    29.0500  -20.0900
            6   C6a C    28.3500  -21.2800
            7   O6a O    27.0200  -21.2800
            8   O6a O    29.0500  -22.4700
            9   C8y C    18.7600  -22.0500
            10  C8x C    18.7600  -20.6500
            11  C8y C    20.0200  -19.9500
            12  C8y C    21.2100  -20.6500
            13  C8y C    21.2100  -22.0500
            14  C8x C    20.0200  -22.7500
            15  O2a O    22.4700  -19.9500
            16  C1a C    23.6600  -20.6500
            17  O2a O    20.0200  -18.4800
            18  C1a C    21.2100  -17.7800
            19  O2a O    22.4700  -22.7500
            20  C1a C    22.4700  -24.1500
            21  C7a C    17.5700  -22.7500
            22  O7a O    16.3800  -22.0500
            23  C1b C    15.1200  -22.7500
            24  O6a O    17.5700  -24.1500
            25  C1d C    13.9193  -22.0301
            26  N1c N    12.6954  -22.7100
            27  C1a C    11.4626  -21.9713
            28  C1a C    12.6724  -24.0800
            29  C8y C    13.9193  -20.6301
            30  C1b C    13.9193  -23.4301
            31  C1a C    15.1200  -24.1500
            32  C8x C    15.1310  -19.9305
            33  C8x C    15.1310  -18.5305
            34  C8x C    13.9186  -17.8305
            35  C8x C    12.7069  -18.5301
            36  C8x C    12.7069  -19.9301
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8     9  10 2
            9    10  11 1
            10   12  15 1
            11   11  12 2
            12   15  16 1
            13   13  19 1
            14   19  20 1
            15   12  13 1
            16    9  21 1
            17   11  17 1
            18   21  22 1
            19   13  14 2
            20   22  23 1
            21   17  18 1
            22   14   9 1
            23   21  24 2
            24   23  25 1
            25   25  26 1
            26   26  27 1
            27   26  28 1
            28   25  29 1
            29   25  30 1
            30   30  31 1
            31   29  32 1
            32   32  33 2
            33   33  34 1
            34   34  35 2
            35   35  36 1
            36   29  36 2

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