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

General Information of Drug (ID: DR0183)
Drug Name
Befunolol
Synonyms
Befunolol; Befunolol (INN); Befunolol HCl; Befunolol [INN]; Befunololum; Befunololum [INN-Latin]; 1-(7-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-2-benzofuranyl)ethanone; 1-(7-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-2-benzofuranyl)ethanone hydrochloride; 2-Acetyl-7-(2-hyroxy-3-isopropylaminopropoxy)benzofuran; 39552-01-7; 7-(2-Hydroxy-3-(isopropylamino)propoxy)-2-benzofuranyl methyl ketone; AC1L1DE0; BRN 3620832; C16H21NO4; KETONE, 7-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)-2-BENZOFURANYL METHYL; SCHEMBL78720
Indication Glaucoma [ICD11: 9C61] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 291.34 Topological Polar Surface Area 71.7
Heavy Atom Count 21 Rotatable Bond Count 7
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
2309
ChEBI ID
CHEBI:135212
CAS Number
39552-01-7
Formula
C16H21NO4
Canonical SMILES
CC(C)NCC(COC1=CC=CC2=C1OC(=C2)C(=O)C)O
InChI
1S/C16H21NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10,13,17,19H,8-9H2,1-3H3
InChIKey
ZPQPDBIHYCBNIG-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
2-(1-hydroxyethyl)-7-(2-hydroxy-3-isopropylaminopropoxy)benzofuran DM004222
41496
Unclear 1 [3]
2-acetyl-4-hydroxy-7-(2- hydroxy-3-isopropylaminopropoxy)benzofuran DM004218 N. A. Unclear 1 [3]
Befunolol Metabolite DM004221 N. A. Unclear 1 [4]
Befunolol Metabolite BF-7-OG DM004230 N. A. Unclear 1 [4]
Dihydrobefunolol DM004229 N. A. Reduction - Reduction 1 [5]
Befunolol Metabolite DM004228 N. A. Unclear 2 [4]
Befunolol Metabolite DM004227 N. A. Unclear 2 [4]
Befunolol Metabolite DM004219 N. A. Unclear 2 [4]
Befunolol Metabolite -2-OG DM004226 N. A. Unclear 2 [4]
Befunolol Metabolite -7-OG DM004225 N. A. Unclear 2 [4]
Befunolol Metabolite M1G DM004223 N. A. Unclear 2 [3]
Befunolol Metabolite M2G DM004224 N. A. Unclear 2 [3]
Befunolol Metabolite -4-OG DM004220 N. A. Unclear 3 [4]
⏷ Show the Full List of 13  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004610 Befunolol 2-acetyl-4-hydroxy-7-(2- hydroxy-3-isopropylaminopropoxy)benzofuran Unclear Unclear [3]
MR004613 Befunolol Befunolol Metabolite Unclear Unclear [4]
MR004615 Befunolol 2-(1-hydroxyethyl)-7-(2-hydroxy-3-isopropylaminopropoxy)benzofuran Unclear Unclear [3]
MR004622 Befunolol Dihydrobefunolol Reduction - Reduction Unclear [5]
MR004623 Befunolol Befunolol Metabolite BF-7-OG Unclear Unclear [4]
MR004616 2-(1-hydroxyethyl)-7-(2-hydroxy-3-isopropylaminopropoxy)benzofuran Befunolol Metabolite M1G Unclear Unclear [3]
MR004611 2-acetyl-4-hydroxy-7-(2- hydroxy-3-isopropylaminopropoxy)benzofuran Befunolol Metabolite Unclear Unclear [4]
MR004617 2-acetyl-4-hydroxy-7-(2- hydroxy-3-isopropylaminopropoxy)benzofuran Befunolol Metabolite M2G Unclear Unclear [3]
MR004614 Befunolol Metabolite Befunolol Metabolite Unclear Unclear [4]
MR004618 Befunolol Metabolite Befunolol Metabolite -7-OG Unclear Unclear [4]
MR004619 Befunolol Metabolite Befunolol Metabolite -2-OG Unclear Unclear [4]
MR004620 Befunolol Metabolite Befunolol Metabolite Unclear Unclear [4]
MR004621 Befunolol Metabolite Befunolol Metabolite Unclear Unclear [4]
MR004612 Befunolol Metabolite Befunolol Metabolite -4-OG Unclear Unclear [4]
⏷ Show the Full List of 14 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
References
1 The use of a porcine organotypic cornea construct for permeation studies from formulations containing befunolol hydrochloride. Int J Pharm. 2003 Jan 2;250(1):191-201.
2 Application of substrate depletion assay to evaluation of CYP isoforms responsible for stereoselective metabolism of carvedilol. Drug Metab Pharmacokinet. 2016 Dec;31(6):425-432.
3 Enzyme immunoassays for beta-adrenoreceptor blocking agent, befunolol and its main metabolite, M1
4 [Identification of urinary metabolites of befunolol in dog and man principally by mass spectrometry (author's transl)]
5 Purification and characterization of befunolol reductase from rabbit liver

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