indacaterol   Click here for help

GtoPdb Ligand ID: 7455

Synonyms: Arcapta Neohaler® | Onbrez® | QAB-149 | QAB149
Approved drug Immunopharmacology Ligand
indacaterol is an approved drug (EMA (2009), FDA (2011))
Compound class: Synthetic organic
Comment: Only the R-enantiomer, as the maleate salt (PubChem CID 9827599) is contained in the medicinal product.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 85.35
Molecular weight 392.21
XLogP 4.65
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCc1cc2CC(Cc2cc1CC)NCC(c1ccc(c2c1ccc(=O)[nH]2)O)O
Isomeric SMILES CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O
InChI InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1
InChI Key QZZUEBNBZAPZLX-QFIPXVFZSA-N
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 7.8 pKi - 1
pKi 7.8 (Ki 1.59x10-8 M) [1]
β1-adrenoceptor Hs Agonist Agonist 6.7 pKi - 1
pKi 6.7 (Ki 1.8x10-7 M) [1]