isoetarine   Click here for help

GtoPdb Ligand ID: 7205

Synonyms: Bronkometer® | Bronkosol® | WIN-3406
Approved drug Immunopharmacology Ligand
isoetarine is an approved drug (FDA (1979))
Compound class: Synthetic organic
Comment: Isoetharine is a bronchodilator. Note that the US FDA approved drug is isoetharine.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 72.72
Molecular weight 239.15
XLogP 1.98
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES CCC(C(c1ccc(c(c1)O)O)O)NC(C)C
Isomeric SMILES CCC(C(c1ccc(c(c1)O)O)O)NC(C)C
InChI InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3
No information available.
Summary of Clinical Use Click here for help
Used to treat emphysema, bronchitis, chronic obstructive pulmonary disease (COPD) and asthma.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
Isoetarine is a selective β2-adrenoceptor agonist. Agonist-induced receptor activation increases cAMP levels which relaxes bronchial smooth muscle, and inhibits release of mediators of immediate hypersensitivity (eg histamine, leukotrienes, and prostaglandin) from mast cells.