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

General Information of Drug (ID: DR0572)
Drug Name
Emopamil
Synonyms
Emopamil; Emopamil [INN]; Emopamilo; Emopamilo [Spanish]; Emopamilum; Emopamilum [Latin]; LS-171768; LS-177410; Levemopamil; emopamil, (+-)-isomer; (+-)Emopamil; 2-Isopropyl-5-(methylphenethylamino)-2-phenylvaleronitrile; 2-isopropyl-5(methylphen-ethylamino)-2-phenylvaleronitrile hydrochloride; 2-isopropyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanonitril; 78370-13-5; AC1L2FS5; AC1Q1O2G; AC1Q4QNU; C13766; DWAWDSVKAUWFHC-UHFFFAOYSA-N; C23H30N2; CHEBI:34736; CHEMBL173809; CTK7C5244; SCHEMBL93921
Indication Cerebral ischaemia [ICD11: 8B1Z] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 334.5 Topological Polar Surface Area 27
Heavy Atom Count 25 Rotatable Bond Count 9
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
71225
ChEBI ID
CHEBI:34736
CAS Number
78370-13-5
TTD Drug ID
D05KRC
Formula
C23H30N2
Canonical SMILES
CC(C)C(CCCN(C)CCC1=CC=CC=C1)(C#N)C2=CC=CC=C2
InChI
1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3
InChIKey
DWAWDSVKAUWFHC-UHFFFAOYSA-N
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 Calcium entry and 5-HT2 receptor blockade in oliguric ischaemic acute renal failure: effects of levemopamil in conscious rats. Br J Pharmacol. 1996 Mar;117(6):1348-54.
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.

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