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

General Information of Drug (ID: DR5238)
Drug Name
Fenoterol
Synonyms
Berotec; Berotek; Fenoterolum; Phenoterol; TH 1165A; Berotec (TN); Fenoterolum [INN-Latin]; P-Hydroxyphenylorciprenaline; Th-1165a; Fenoterol (USAN/INN); Fenoterol [USAN:BAN:INN]; P-Hydroxyphenyl-orciprenaline; 1-(3,5-Dihydroxyphenyl)-1-hydroxy-2-((4-hydroxyphenyl)isopropylamino)ethane; 1-(p-Hydroxyphenyl)-2-((beta-hydroxy-beta-(3',5'-dihydroxyphenyl))ethyl)aminopropane; 3,5-Dihydroxy-alpha-(((p-hydroxy-alpha-methylphenethyl)amino)methyl)benzyl alcohol; 5-(1-hydroxy-2-{[1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)benzene-1,3-diol; 5-(1-hydroxy-2-{[2-(4-hydroxyphenyl)-1-methylethyl]amino}ethyl)benzene-1,3-diol; 5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol; 5-{1-Hydroxy-2-[2-(4-hydroxy-phenyl)-1-methyl-ethylamino]-ethyl}-benzene-1,3-diol
Indication Asthma [ICD11: CA23] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 303.35 Topological Polar Surface Area 93
Heavy Atom Count 22 Rotatable Bond Count 6
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
3343
ChEBI ID
CHEBI:149226
CAS Number
13392-18-2
TTD Drug ID
D04XEG
Formula
C17H21NO4
Canonical SMILES
CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O
InChI
InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
InChIKey
LSLYOANBFKQKPT-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
Fenoterol-meta-glucuronide DM017037 N. A. Unclear - Unclear 1 [3]
Fenoterol-para-glucuronide DM016427
92023824
Unclear - Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007992 Fenoterol Fenoterol-para-glucuronide Unclear - Unclear Unclear [3]
MR007993 Fenoterol Fenoterol-meta-glucuronide Unclear - Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Lactoperoxidase (LPO) DME0246 Homo sapiens
PERL_HUMAN
1.11.1.7
[2]
Myeloperoxidase (MPO) DME0096 Homo sapiens
PERM_HUMAN
1.11.2.2
[2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 557).
2 Peroxidative metabolism of beta2-agonists salbutamol and fenoterol and their analogues
3 Stereoselective formation of fenoterol-para-glucuronide and fenoterol-meta-glucuronide in rat hepatocytes and enterocytes

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