abediterol

Ligand id: 9326

Name: abediterol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 13
Topological polar surface area 90.82
Molecular weight 460.22
XLogP 5.09
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[(1R)-2-[6-(2,2-difluoro-2-phenylethoxy)hexylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
International Nonproprietary Names
INN number INN
9406 abediterol
Synonyms
LAS-100977
Database Links
CAS Registry No. 915133-65-2 (source: PubChem)
ChEMBL Ligand CHEMBL3039530
GtoPdb PubChem SID 318164845
PubChem CID 11962616
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Comments
Abediterol (AS100977) is an investigational long-acting beta(β)-agonist (LABA) [1], in development as a once-daily treatment for asthma [2] and potentially COPD. Currently available LABAs approved for use by asthmatic patients include salmeterol, formoterol and olodaterol.