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

General Information of Drug (ID: DR0479)
Drug Name
Dexverapamil
Synonyms
Dexverapamil; Dexverapamil [INN]; Dexverapamilo; Dexverapamilo [INN-Spanish]; Dexverapamilum; Dexverapamilum [INN-Latin]; QR5PYD126V; R(+)-VERAPAMIL; Verapramil; verapamil-r; (+)-(R)-5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile; (+)-3-(3,4-Dimethoxyphenyl)-6-((5,6-dimethoxyphenethyl)methylamino)hexane-3-carbonitrile; (+)-verapamil; (R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile; 38321-02-7; CHEBI:77734; UNII-QR5PYD126V
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 454.6 Topological Polar Surface Area 64
Heavy Atom Count 33 Rotatable Bond Count 13
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
65808
ChEBI ID
CHEBI:77734
CAS Number
38321-02-7
Formula
C27H38N2O4
Canonical SMILES
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC
InChI
1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1
InChIKey
SGTNSNPWRIOYBX-HHHXNRCGSA-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
Nor-dexverapamil DM005857 N. A. Unclear 1 [3] , [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006266 Dexverapamil Nor-dexverapamil Unclear Unclear [3], [4]
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 G-SRS database: DEXVERAPAMIL
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 Phase I and pharmacokinetic study of the multidrug resistance modulator dexverapamil with EPOCH chemotherapy
4 Clinical reversal of multidrug resistance

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