salbutamol   Click here for help

GtoPdb Ligand ID: 558

Synonyms: albuterol | SCH-13949W | Ventolin®
Approved drug Immunopharmacology Ligand
salbutamol is an approved drug (FDA (1981))
Compound class: Synthetic organic
Comment: The approved drug salbutamol is a racemic mixture of two enantiomers: levosalbutamol ((R)-salbutamol) and (S)-salbutamol. The structure shown here does not specify stereochemistry and represents the mixture. The US FDA approved this drug with the name albuterol.
Marketed formulations may contain salbutamol sulfate (PubChem CID 9884233).
Salbutamol is termed a 'short-acting beta-agonist' (SABA).
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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 5
Topological polar surface area 72.72
Molecular weight 239.15
XLogP 1.44
No. Lipinski's rules broken 0
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Canonical SMILES OCc1cc(ccc1O)C(CNC(C)(C)C)O
Isomeric SMILES OCc1cc(ccc1O)C(CNC(C)(C)C)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
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 Partial agonist 5.3 – 6.1 pKi - 1-6
pKi 5.3 – 6.1 [1-6]
β2-adrenoceptor Hs Agonist Partial agonist 6.3 – 7.7 pEC50 - 2,4
pEC50 6.3 – 7.7 [2,4]
Ligand mentioned in the following text fields