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

General Information of Drug (ID: DR0216)
Drug Name
Bisoprolol
Synonyms
Bisoprolol fumarate; Bisoprolol fumerate; Bisoprolol hemifumarate; Bisoprololum; Bisoprololum [Latin]; Cardicor; Concor; Detensiel; Euradal; Isoten; Monocor; Soprol; VHYCDWMUTMEGQY-UHFFFAOYSA-N; Zebeta; (+-)-1-((alpha-(2-Isopropoxyethoxy)-p-tolyl)oxy)-3-(isopropylamino)-2-propanol; (RS)-1-(4-(2-Isopropoxyethoxymethyl)phenoxy)-3-(isopropylamino)-2-propanol; 1-(4-((2-isopropoxyethoxy)methyl)phenoxy)-3-(isopropylamino)propan-2-ol; 66722-44-9; C18H31NO4; CHEBI:3127; CL-297939; EMD-33512; BISOPROLOL; Emcor
Indication Essential hypertension [ICD11: BA00] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 325.4 Topological Polar Surface Area 60
Heavy Atom Count 23 Rotatable Bond Count 12
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
2405
PubChem SID
9070 ; 6397832 ; 7849401 ; 7978798 ; 8151612 ; 11466358 ; 11467478 ; 11485996 ; 14951172 ; 26751965 ; 29215032 ; 29221570 ; 46508844 ; 47285419 ; 47285420 ; 47879647 ; 48104705 ; 48415642 ; 49699358 ; 50023479 ; 50104637 ; 50166062 ; 56413039 ; 56464171 ; 57321305 ; 81065494 ; 85208973 ; 90341096 ; 92716755 ; 93619375 ; 103189070 ; 104300491 ; 109658185 ; 115354126 ; 118312879 ; 124886954 ; 125355820 ; 126603351 ; 126622710 ; 126635370 ; 126685320 ; 129477689 ; 134337776 ; 135008344 ; 135556373 ; 136368040 ; 137248548 ; 142472789 ; 143438128 ; 144115721
ChEBI ID
ChEBI:3127
CAS Number
66722-44-9
TTD Drug ID
D0K3ZR
Formula
C18H31NO4
Canonical SMILES
CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O
InChI
1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3
InChIKey
VHYCDWMUTMEGQY-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
Bisoprolol metabolite M4 DM001429 N. A. Oxidation - O-Dealkylation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000374 Bisoprolol Bisoprolol metabolite M4 Oxidation - O-Dealkylation CYP2D6 ... [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]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
References
1 Bisoprolol was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Drug-drug interactions of beta-adrenoceptor blockers. Arzneimittelforschung. 2003;53(12):814-22.
3 Stereoselective metabolism of bisoprolol enantiomers in dogs and humans. Life Sci. 1998;63(13):1097-108.

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