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

General Information of Drug (ID: DR1501)
Drug Name
Sotalol
Synonyms
Sorine; Sotalol [INN:BAN]; Sotalolum; Sotalolum [INN-Latin]; ZBMZVLHSJCTVON-UHFFFAOYSA-N; beta-Cardone; sotalol; .beta.-Cardone; MJ-1999; 3930-20-9; 4'-(1-Hydroxy-2-(isopropylamino)ethyl)methane sulfonanilide; 4'-(1-Hydroxy-2-isopropylaminoethyl)methanesulfonanilid; C12H20N2O3S; CCRIS 4204; CHEBI:63622; CHEMBL471; Methanesulfonanilide, 4'-(1-hydroxy-2-(isopropylamino)ethyl)-; N-(4-(1-Hydroxy-2-(isopropylamino)ethyl)phenyl)methanesulfonamide; N-{4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl}methanesulfonamide; NCGC00015919-04
Indication Atrial fibrillation [ICD11: BC81] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 272.37 Topological Polar Surface Area 86.8
Heavy Atom Count 18 Rotatable Bond Count 6
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
5253
PubChem SID
9517 ; 3221867 ; 5612028 ; 7980639 ; 8153233 ; 10521436 ; 11466994 ; 11468114 ; 11486628 ; 14775037 ; 26751989 ; 29224308 ; 46505012 ; 47730756 ; 47879636 ; 48029202 ; 48029203 ; 48253453 ; 48416548 ; 49699392 ; 49991262 ; 50104666 ; 53790038 ; 56413050 ; 57288838 ; 57322681 ; 80811639 ; 85220240 ; 85788914 ; 90341280 ; 92308885 ; 92717147 ; 96025210 ; 103168744 ; 104171235 ; 104308703 ; 118314017 ; 124750203 ; 124881382 ; 124881383 ; 124881384 ; 125349604 ; 126622467 ; 128364869 ; 129878952 ; 134337682 ; 134985209 ; 135610135 ; 137100765 ; 142466945
ChEBI ID
CHEBI:63622
CAS Number
3930-20-9
TTD Drug ID
D04VMT
Formula
C12H20N2O3S
Canonical SMILES
CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O
InChI
1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
InChIKey
ZBMZVLHSJCTVON-UHFFFAOYSA-N
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]
Unclear metabolic mechanism (DME-unclear) DME1251 Bacteroides fragilis Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1254 Bacteroides thetaiotaomicron Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1256 Bacteroides sartorii Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1376 Bacteroides ovatus Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1449 Prevotella copri Not Available Not Available [3]
⏷ Show the Full List of 6  DME(s)
References
1 Sotalol was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
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 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.

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