isoprenaline   Click here for help

GtoPdb Ligand ID: 536

Synonyms: isoproterenol | Isuprel® | Medihaler-Iso®
Approved drug
isoprenaline is an approved drug
Compound class: Synthetic organic
Comment: Isoprenaline is a β-adrenoceptor agonist drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 72.72
Molecular weight 211.12
XLogP 1.16
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(NCC(c1ccc(c(c1)O)O)O)C
Isomeric SMILES CC(NCC(c1ccc(c(c1)O)O)O)C
InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
InChI Key JWZZKOKVBUJMES-UHFFFAOYSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
β1-adrenoceptor Primary target of this compound Hs Agonist Full agonist 6.1 – 7.0 pKi - 1,3,8
pKi 6.1 – 7.0 [1,3,8]
β2-adrenoceptor Primary target of this compound Hs Agonist Full agonist 6.4 – 6.6 pKi - 1-2,8
pKi 6.4 – 6.6 [1-2,8]
β3-adrenoceptor Hs Agonist Full agonist 5.1 – 6.2 pKi - 1,4-9
pKi 5.1 – 6.2 [1,4-9]
β3-adrenoceptor Rn Agonist Full agonist 5.3 pKi - 6
pKi 5.3 [6]
β3-adrenoceptor Mm Agonist Full agonist 4.2 – 5.3 pKi - 6-7
pKi 4.2 – 5.3 [6-7]
β1-adrenoceptor Hs Agonist Full agonist 8.6 pEC50 - 1
pEC50 8.6 [1]
β2-adrenoceptor Hs Agonist Full agonist 8.2 pEC50 - 1-2
pEC50 8.2 [1-2]
β3-adrenoceptor Hs Agonist Full agonist 7.4 pEC50 - 1
pEC50 7.4 [1]