arformoterol   Click here for help

GtoPdb Ligand ID: 7479

Synonyms: Brovana® | YM-08316
Approved drug PDB Ligand Immunopharmacology Ligand
arformoterol is an approved drug (FDA (2006))
Compound class: Synthetic organic
Comment: Arformoterol is the active (R,R)-enantiomer of formoterol. The marketed product contains arformoterol tartrate (PubChem CID 9827062).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 90.82
Molecular weight 344.17
XLogP 2.21
No. Lipinski's rules broken 0
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Canonical SMILES O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O
Isomeric SMILES O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O
InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
β2-adrenoceptor Primary target of this compound Hs Agonist Agonist 8.6 pKi - 1
pKi 8.6 (Ki 2.6x10-9 M) [1]
β1-adrenoceptor Hs Agonist Agonist 6.5 pKi - 2
pKi 6.5 (Ki 3.19x10-7 M) [2]