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

General Information of Drug (ID: DR0660)
Drug Name
Ethyl biscoumacetate
Synonyms
Aethyli biscumacetas; Aethylis biscumacetas; Aethylum biscumaceticum; Dicumacyl; ETHYL BISCOUMACETATE; Ethyl biscumacetate; Ethyldicoumarol; Ethyldicoumarol acetate; Neodicoumarin; Neodicoumarol; Neodicumarinum; Neodicumarol; Neodikumarin; Pelentan; Trombarin; Trombil; Trombolysan; Tromexan; Tromexan ethyl acetate; 548-00-5; BOEA; Bis(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)acetic acid ethyl ester; Bis-(4-hydroxy-3-coumarinyl)ethyl acetate; Ethyl bis(4-hydroxy-3-coumarinyl)acetate; Ethyl bis(4-hydroxycoumarinyl)acetate; NSC 36366
Indication Thrombosis [ICD11: DB61] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 408.4 Topological Polar Surface Area 119
Heavy Atom Count 30 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
54685524
ChEBI ID
CHEBI:135659
CAS Number
548-00-5
Formula
C22H16O8
Canonical SMILES
CCOC(=O)C(C1=C(C2=CC=CC=C2OC1=O)O)C3=C(C4=CC=CC=C4OC3=O)O
InChI
1S/C22H16O8/c1-2-28-20(25)15(16-18(23)11-7-3-5-9-13(11)29-21(16)26)17-19(24)12-8-4-6-10-14(12)30-22(17)27/h3-10,15,23-24H,2H2,1H3
InChIKey
JCLHQFUTFHUXNN-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
7-hydroxy ethyl biscoumacetate DM003878
54692989
Unclear 1 [1]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004244 Ethyl biscoumacetate 7-hydroxy ethyl biscoumacetate Unclear Unclear [1]
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 Pharmacokinetics of ethyl biscoumacetate and its metabolite 7-hydroxy ethyl biscoumacetate in healthy volunteers. Int J Clin Pharmacol Ther. 1994 Nov;32(11):622-4.
2 Diet Drug Porfimer sodium Safe, Effective, Study Finds.

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