Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5368)
Drug Name
Mebeverine
Synonyms
Arluy; Mebeverina; Mebeverinum; Arluy (TN); Mebeverina [INN-Spanish]; Mebeverine (INN); Mebeverine [INN:BAN]; Mebeverinum [INN-Latin]; Mebeverine (USAN)(*hydrochloride*); Veratric acid, 4-[ethyl(p-me; Veratric acid, 4-((ethyl(p-methoxy-alpha-methylphenethyl))amino)butyl ester; Veratric acid, 4-((ethyl(p-methoxy-.alpha.-methylphenethyl))amino)butyl ester; Benzoic acid, 3,4-dimethoxy-, 4-[ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]butyl ester; Benzoic acid, 3,4-dimethoxy-, {4-[ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]butyl} ester; Benzoic acid, 3,4-dimethoxy-, 4-(ethyl(2-(4-methoxyphenyl)-1-methylethyl)amino)butyl ester; 4-(Ethyl(2-(4-methoxyphenyl)-1-methylethyl)amino)butyl 3,4-dimethoxybenzoate;4-(ethyl-(4-methoxy-alpha-methylphenethyl)aminobutyl) veratrate; 4-(ethyl{1-methyl-2-[4-(methyloxy)phenyl]ethyl}amino)butyl 3,4-bis(methyloxy)benzoate; 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate
Indication Irritable bowel syndrome [ICD11: DD91] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 429.5 Topological Polar Surface Area 57.2
Heavy Atom Count 31 Rotatable Bond Count 14
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
4031
ChEBI ID
CHEBI:91514
CAS Number
3625-06-7
TTD Drug ID
D0VU8Q
Formula
C25H35NO5
Canonical SMILES
CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3
InChIKey
VYVKHNNGDFVQGA-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Mebeverine alcohol DM014994
26649
Unclear - Unclear 1 [2]
Mebeverine Metabolite M3 DM015152
127907
Unclear - Unclear 1 [2]
Mebeverine Metabolite M4 DM016445
101015587
Unclear - Unclear 1 [2]
Mebeverine Metabolite M5 DM015081
85725
Unclear - Unclear 1 [2]
Veratric acid DM014904
7121
Unclear - Unclear 1 [2]
3-Hydroxy-4-methoxybenzoic acid DM004115
12575
Unclear - Unclear 2 [2]
Mebeverine acid DM015975
20556914
Unclear - Unclear 2 [2]
Mebeverine Metabolite M6 DM015160
129646
Unclear - Unclear 2 [2]
Mebeverine Metabolite M7 DM015004
31721
Unclear - Unclear 2 [2]
Mebeverine Metabolite M8 DM016446
101015588
Unclear - Unclear 2 [2]
Vanillic acid DM014918
8468
Oxidation - O-demethylation 2 [2]
Protocatechuate DM002607
72
Unclear - Unclear 3 [2]
⏷ Show the Full List of 12  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013908 Mebeverine Veratric acid Unclear - Unclear Unclear [2]
MR013913 Mebeverine Mebeverine Metabolite M4 Unclear - Unclear Unclear [2]
MR013916 Mebeverine Mebeverine Metabolite M5 Unclear - Unclear Unclear [2]
MR013919 Mebeverine Mebeverine alcohol Unclear - Unclear Unclear [2]
MR013921 Mebeverine Mebeverine Metabolite M3 Unclear - Unclear Unclear [2]
MR013920 Mebeverine alcohol Mebeverine acid Unclear - Unclear Unclear [2]
MR013914 Mebeverine Metabolite M4 Mebeverine Metabolite M8 Unclear - Unclear Unclear [2]
MR013915 Mebeverine Metabolite M4 Mebeverine Metabolite M7 Unclear - Unclear Unclear [2]
MR013917 Mebeverine Metabolite M5 Mebeverine Metabolite M6 Unclear - Unclear Unclear [2]
MR013918 Mebeverine Metabolite M5 Mebeverine Metabolite M7 Unclear - Unclear Unclear [2]
MR013909 Veratric acid Mebeverine Metabolite M1 Unclear - Unclear Unclear [2]
MR013911 Veratric acid Vanillic acid Oxidation - O-demethylation Unclear [2]
MR013910 Mebeverine Metabolite M1 Mebeverine Metabolite M2 Unclear - Unclear Unclear [2]
MR013912 Vanillic acid Mebeverine Metabolite M2 Unclear - Unclear Unclear [2]
⏷ Show the Full List of 14 MR(s)
References
1 Emerging drugs for irritable bowel syndrome. Expert Opin Emerg Drugs. 2006 May;11(2):293-313.
2 Investigative implications of the instability and metabolism of mebeverine

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