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

General Information of Drug (ID: DR1293)
Drug Name
Pinaverium
Synonyms
Pinaverium; LS-176056; SCHEMBL312166; U2368VVE7O; 59995-65-2; AC1L24AP; BDBM50101975; C26H41BrNO4; CHEBI:135811; CHEMBL1909324; DB09090; Morpholinium, 4-((2-bromo-4,5-dimethoxyphenyl)methyl)-4-(2-(2-(6,6-dimethylbicyclo(3.1.1)hept-2-yl)ethoxy)ethyl)-; NCGC00181763-01; UNII-U2368VVE7O
Indication Irritable bowel syndrome [ICD11: DD91] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 511.5 Topological Polar Surface Area 36.9
Heavy Atom Count 32 Rotatable Bond Count 10
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
40704
ChEBI ID
CHEBI:135811
CAS Number
59995-65-2
Formula
C26H41BrNO4+
Canonical SMILES
CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C
InChI
1S/C26H41BrNO4/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27/h15,17,19,21-22H,5-14,16,18H2,1-4H3/q+1
InChIKey
DDHUTBKXLWCZCO-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
O-desmethyl-Pinaverium DM004799 N. A. Oxidation - Demethylation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005159 Pinaverium O-desmethyl-Pinaverium Oxidation - Demethylation Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 ClinicalTrials.gov (NCT02833103) Pinaverium Bromide in Post-cholecystectomy Sphincter of Oddi Dysfunction.
2 Integrated analysis on the physicochemical properties of dihydropyridine calcium channel blockers in grapefruit juice interactions. Curr Pharm Biotechnol. 2012 Jul;13(9):1705-17.
3 DrugBank(Pharmacology-Metabolism):Pinaverium

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