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

General Information of Drug (ID: DR1337)
Drug Name
Prenylamine
Synonyms
Prenilamina; Prenilamina [INN-Spanish]; Prenylamine (vasodilator); Prenylamine [USAN:INN:BAN]; Prenylaminum; Prenylaminum [INN-Latin]; Bismethin; Carditin; Corontin; Corpax; DL-Prenylamine; Difril; Elecor; Falliocor; Hostaginan; PRENYLAMINE; SAN 13-194; Sandoz 13-194; Segontin; Synadrin; Valecor; 1-Phenyl-2-(1',1'-diphenylpropyl-3'-amino)propane; 390-64-7; B-436; BRN 2060323; CHEMBL24072; EINECS 206-869-4; N-(1-Methyl-2-phenylethyl)-gamma-phenylbenzenepropanamine; N-(3,3-Diphenylpropyl)-alpha-methylphenethylamine
Indication Angina pectoris [ICD11: BA40] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 329.5 Topological Polar Surface Area 12
Heavy Atom Count 25 Rotatable Bond Count 8
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
9801
ChEBI ID
CHEBI:8397
CAS Number
390-64-7
Formula
C24H27N
Canonical SMILES
CC(CC1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3
InChIKey
IFFPICMESYHZPQ-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
p-hydroxy-prenlyamine DM004822
13065281
Oxidation - Hydrolyzationn 1 [3] , [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005188 Prenylamine p-hydroxy-prenlyamine Oxidation - Hydrolyzationn 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 Pharmacovigilance. Edited by Ronald D. Mann, Elizabeth B. Andrews. Page: 116.
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 Analytical developments of p-hydroxy prenylamine reference material for dope control research: Characterization and purity assessment
4 Identification and characterization of urinary prenylamine metabolites by means of liquid chromatography-tandem mass spectrometry

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