clenbuterol   Click here for help

GtoPdb Ligand ID: 12582

Synonyms: NAB 365 | NAB-365 | Planipart® | Spiropent®
Compound class: Synthetic organic
Comment: Clenbuterol is a β2-adrenoceptor agonist [3].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 58.28
Molecular weight 277.19
XLogP 1.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
Isomeric SMILES CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
InChI InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
InChI Key STJMRWALKKWQGH-UHFFFAOYSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
β1-adrenoceptor Hs Agonist Full agonist 7.4 – 7.9 pKi - 1-2
pKi 7.4 – 7.9 [1-2]
β2-adrenoceptor Hs Agonist Full agonist 7.4 – 7.9 pKi - 1-3
pKi 7.4 – 7.9 [1-3]
β1-adrenoceptor Hs Agonist Full agonist 9.2 pEC50 - 1
pEC50 9.2 [1]
β2-adrenoceptor Hs Agonist Agonist 9.2 pEC50 - 1
pEC50 9.2 [1]