KEGG   DRUG: Mebeverine hydrochlorideHelp
Entry
D04868                      Drug                                   

Name
Mebeverine hydrochloride (USAN)
Formula
C25H35NO5. HCl
Exact mass
465.2282
Mol weight
466.01
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
Remark
ATC code: A03AA04
Chemical structure group: DG00030
Efficacy
Antispasmodic, Smooth muscle relaxant, Muscarinic acetylcholine receptor antagonist
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
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
     A03AA04 Mebeverine
      D04868  Mebeverine hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D04868  Mebeverine hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 2753-45-9
PubChem: 47206639
ChEMBL: CHEMBL1446650
LigandBox: D04868
NIKKAJI: J310.936D
LinkDB All DBs
KCF data Show

ATOM        32
            1   C8y C    15.8900  -20.0200
            2   C8y C    15.8900  -18.6200
            3   C8x C    17.0800  -17.9200
            4   C8y C    18.3400  -18.6200
            5   C8x C    18.3400  -20.0200
            6   C8x C    17.0800  -20.7200
            7   O2a O    14.7000  -20.7200
            8   C1a C    13.4400  -20.0200
            9   C1a C    13.4400  -18.6200
            10  O2a O    14.7000  -17.9200
            11  C7a C    19.5300  -17.9200
            12  O7a O    20.7200  -18.6200
            13  O6a O    19.5300  -16.5200
            14  C1b C    21.9381  -17.9299
            15  C1b C    23.1195  -18.6250
            16  C1b C    24.3249  -17.9420
            17  C1b C    25.4961  -18.6309
            18  N1c N    26.7065  -17.9449
            19  C1c C    27.9266  -18.6629
            20  C1b C    29.1357  -17.9784
            21  C1a C    27.9146  -20.0899
            22  C1b C    26.7175  -16.5202
            23  C1a C    27.9523  -15.8198
            24  C8y C    30.3354  -18.6848
            25  C8x C    30.3236  -20.0899
            26  C8x C    31.5300  -20.8002
            27  C8y C    32.7483  -20.1104
            28  C8x C    32.7602  -18.7053
            29  C8x C    31.5537  -17.9951
            30  O2a O    33.9544  -20.8204
            31  C1a C    35.1822  -20.1255
            32  X   Cl   30.8000  -22.4000
BOND        32
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     9  10 1
            10    2  10 1
            11    4  11 1
            12   11  12 1
            13   11  13 2
            14   12  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   19  21 1
            22   18  22 1
            23   22  23 1
            24   20  24 1
            25   24  25 2
            26   25  26 1
            27   26  27 2
            28   27  28 1
            29   28  29 2
            30   24  29 1
            31   27  30 1
            32   30  31 1

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