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

General Information of Drug (ID: DR5722)
Drug Name
Levalbuterol
Synonyms
Levosalbutamol; 34391-04-3; (R)-salbutamol; Xopenex; R-Salbutamol; R-Albuterol; (r)-(-)-salbutamol; UNII-EDN2NBH5SS; 4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol; EDN2NBH5SS; CHEBI:8746; Levosalbutamol (INN); Levosalbutamol [INN]; (R)-albuterol; m-Xylene-alpha,alpha'-diol, alpha(sup 1)-((tert-butylamino)methyl)-4-hydroxy-, (R)-(-)-; (-)-alpha(sup 1)-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxy-1,3-benzenedimethanol
Indication Asthma [ICD11: CA23] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 239.31 Topological Polar Surface Area 72.7
Heavy Atom Count 17 Rotatable Bond Count 5
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
123600
ChEBI ID
CHEBI:8746
CAS Number
34391-04-3
TTD Drug ID
D02ZJI
Formula
C13H21NO3
Canonical SMILES
CC(C)(C)NC[C@@H](C1=CC(=C(C=C1)O)CO)O
InChI
InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1
InChIKey
NDAUXUAQIAJITI-LBPRGKRZSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Levalbuterol M1 PDM013420 N. A. Oxidation - Dehydrogenation of primary alcohol 1 Human
Levalbuterol M2 PDM013421 N. A. Conjugation - Aromatic OH-glucuronidation 1 Human
Levalbuterol M3 PDM013422 N. A. Conjugation - Sulfation of primary alcohol 1 Human
Levalbuterol M4 PDM013423 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Sulfotransferase 1A3 (SULT1A3) DME0063 Homo sapiens
ST1A3_HUMAN
2.8.2.1
[2]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 LABEL:Levalbuterol

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