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

General Information of Drug (ID: DR1216)
Drug Name
CCRIS-4201
Synonyms
Coretal; Osprenololo [DCIT]; Oxprenolol [INN:BAN]; Oxprenolol, dl-; Oxprenololum; Oxprenololum [INN-Latin]; Trasacor; Trasicor; dl-Oxprenolol; oxprenolol; (+)-1-(o-(Allyloxy)phenoxy)-3-(isopropylamino)propan-2-ol; (+-)-Oxprenolol; (1)-1-(o-(Allyloxy)phenoxy)-3-(isopropylamino)propan-2-ol; 1-(Isopropylamino)-2-hydroxy-3-(o-(allyloxy)phenoxy)propane; 1-(o-(Allyloxy)phenoxy)-3-(isopropylamino)-2-propanol; 6452-71-7; CCRIS 4201; CHEMBL546; EINECS 229-257-9; EINECS 245-359-6
Indication Essential hypertension [ICD11: BA00] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 265.35 Topological Polar Surface Area 50.7
Heavy Atom Count 19 Rotatable Bond Count 9
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
4631
PubChem SID
597348 ; 5204100 ; 7980224 ; 8152843 ; 10531628 ; 11467085 ; 11468205 ; 11486673 ; 14750338 ; 29223720 ; 46508996 ; 47217074 ; 47365481 ; 47885676 ; 48110749 ; 49699389 ; 50022613 ; 50195457 ; 57322363 ; 81065509 ; 85220236 ; 85788907 ; 96025005 ; 103176474 ; 104098253 ; 104306967 ; 126428554 ; 127613395 ; 134337778 ; 134988108 ; 135048217 ; 135048218 ; 137111941 ; 142640337 ; 160964820 ; 163228832 ; 178103829 ; 179150852 ; 224791627 ; 226406507 ; 241041980 ; 241128481 ; 249934544
ChEBI ID
CHEBI:91704
CAS Number
6452-71-7
TTD Drug ID
D0X2MB
Formula
C15H23NO3
Canonical SMILES
CC(C)NCC(COC1=CC=CC=C1OCC=C)O
InChI
1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3
InChIKey
CEMAWMOMDPGJMB-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
4'-Hydroxyoxprenolol DM003434 N. A. Unclear 1 [3]
5'-Hydroxyoxprenolol DM003433 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003876 CCRIS-4201 5'-Hydroxyoxprenolol Unclear Unclear [3]
MR003877 CCRIS-4201 4'-Hydroxyoxprenolol Unclear Unclear [3]
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 Oxprenolol in hypertension. Br J Clin Pract. 1973 Sep;27(9):337-40.
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 Synthesis of 4'- and 5'-hydroxyoxprenolol:pharmacologically active ring-hydroxylated metabolites of oxprenolol

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