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

General Information of Drug (ID: DR0207)
Drug Name
Bevantolol
Synonyms
Bevantolol; Bevantolol [INN:BAN]; Bevantololum; Bevantololum [INN-Latin]; (+-)-bevantolol; 1-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-3-(3-methylphenoxy)-2-propanol; 1-((3,4-Dimethoxyphenethyl)amino)-3-(m-tolyloxy)propan-2-ol; 1-(3,4-Dimethoxyphenethylamino)-3-(m-tolyloxy)-2-propanol; 1-[[2-(3,4-Dimethoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)-2-propanol; 2-Propanol, 1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-(3-methylphenoxy)-; 59170-23-9; AC1L1DJ8; BRN 2769444; C20H27NO4; CHEBI:238698; CI 775; CI-775; SCHEMBL49721
Indication Angina pectoris [ICD11: BA40] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 345.4 Topological Polar Surface Area 60
Heavy Atom Count 25 Rotatable Bond Count 10
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
2372
PubChem SID
421943 ; 4422032 ; 8151591 ; 14952538 ; 29221540 ; 46506014 ; 50023137 ; 50749008 ; 57321288 ; 85220220 ; 85431913 ; 96099850 ; 103292500 ; 104300401 ; 127079310 ; 128127039 ; 134338174 ; 135144541 ; 136948561 ; 137149322 ; 142059896 ; 160964610 ; 162173227 ; 163693492 ; 163853213 ; 168287480 ; 172861635 ; 179150476 ; 224982727 ; 226433399 ; 250218234 ; 251916825 ; 251918064 ; 252455906
ChEBI ID
CHEBI:238698
CAS Number
59170-23-9
TTD Drug ID
D01SAT
Formula
C20H27NO4
Canonical SMILES
CC1=CC(=CC=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O
InChI
1S/C20H27NO4/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3
InChIKey
HXLAFSUPPDYFEO-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
Bevantolol conjugation Metabolite DM005625 N. A. Unclear 1 [3]
Bevantolol Metabolite M2 DM005627 N. A. Unclear 1 [3]
Bevantolol Metabolite M3 DM005626
129061
Unclear 1 [3]
Bevantolol Metabolite M5 DM005623 N. A. Unclear 1 [3]
Bevantolol conjugation Metabolite DM005625 N. A. Unclear 2 [3]
Bevantolol Metabolite M4 DM005624 N. A. Unclear 2 [3]
Bevantolol conjugation Metabolite DM005625 N. A. Unclear 3 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005996 Bevantolol Bevantolol Metabolite M5 Unclear Unclear [3]
MR005999 Bevantolol Bevantolol Metabolite M3 Unclear Unclear [3]
MR006002 Bevantolol Bevantolol Metabolite M2 Unclear Unclear [3]
MR006003 Bevantolol Bevantolol conjugation Metabolite Unclear Unclear [3]
MR006000 Bevantolol Metabolite M3 Bevantolol conjugation Metabolite Unclear Unclear [3]
MR005997 Bevantolol Metabolite M5 Bevantolol Metabolite M4 Unclear Unclear [3]
MR006001 Bevantolol Metabolite M5 Bevantolol conjugation Metabolite Unclear Unclear [3]
MR005998 Bevantolol Metabolite M4 Bevantolol conjugation Metabolite Unclear Unclear [3]
⏷ Show the Full List of 8 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 Bevantolol: a beta-1 adrenoceptor antagonist with unique additional actions. J Clin Pharmacol. 1987 Jul;27(7):450-60.
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 Bevantolol hydrochloride--preclinical pharmacologic profile

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