KEGG   DRUG: TrimebutineHelp
Entry
D08639                      Drug                                   

Name
Trimebutine (INN);
Trimebutina (TN)
Formula
C22H29NO5
Exact mass
387.2046
Mol weight
387.4694
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Analgesic
 DG01587  Opioid receptor agonist/antagonist
Remark
ATC code: A03AA05
Chemical structure group: DG00031
Product (DG00031): D01500<JP>
Efficacy
Antispasmodic, Muscarinic acetylcholine receptor antagonist
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
      D08639  Trimebutine (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 First-class OTC drugs
  Inorganic and organic chemicals
   Trimebutine
    D08639  Trimebutine (INN)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Trimebutine
    D08639  Trimebutine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D08639  Trimebutine (INN)
    OPRK1
     D08639  Trimebutine (INN)
BRITE hierarchy
Other DBs
CAS: 39133-31-8
PubChem: 96025322
ChEMBL: CHEMBL190044
LigandBox: D08639
NIKKAJI: J15.812G
KCF data Show

ATOM        28
            1   C8y C    25.3400  -19.0400
            2   C8x C    25.3400  -17.6400
            3   C8y C    26.6000  -16.9400
            4   C8y C    27.7900  -17.6400
            5   C8y C    27.7900  -19.0400
            6   C8x C    26.6000  -19.7400
            7   O2a O    29.0500  -16.9400
            8   C1a C    30.2400  -17.6400
            9   O2a O    26.6000  -15.4700
            10  C1a C    27.7900  -14.7700
            11  O2a O    29.0500  -19.7400
            12  C1a C    29.0500  -21.1400
            13  C7a C    24.1500  -19.7400
            14  O7a O    22.9600  -19.0400
            15  C1b C    21.7000  -19.7400
            16  O6a O    24.1500  -21.1400
            17  C1d C    20.5100  -19.0400
            18  N1c N    19.3200  -19.7400
            19  C1a C    18.0600  -18.9700
            20  C1a C    19.3200  -21.0700
            21  C8y C    20.5100  -17.6400
            22  C1b C    20.5100  -20.4400
            23  C1a C    21.7000  -21.1400
            24  C8x C    21.7700  -16.9400
            25  C8x C    21.7700  -15.5400
            26  C8x C    20.5100  -14.8400
            27  C8x C    19.3200  -15.5400
            28  C8x C    19.3200  -16.9400
BOND        29
            1     1   2 2
            2     2   3 1
            3     4   7 1
            4     3   4 2
            5     7   8 1
            6     5  11 1
            7    11  12 1
            8     4   5 1
            9     1  13 1
            10    3   9 1
            11   13  14 1
            12    5   6 2
            13   14  15 1
            14    9  10 1
            15    6   1 1
            16   13  16 2
            17   15  17 1
            18   17  18 1
            19   18  19 1
            20   18  20 1
            21   17  21 1
            22   17  22 1
            23   22  23 1
            24   21  24 1
            25   24  25 2
            26   25  26 1
            27   26  27 2
            28   27  28 1
            29   21  28 2

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