compound 8b [PMID: 22408719]

Ligand id: 9113

Name: compound 8b [PMID: 22408719]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 116.2
Molecular weight 539.19
XLogP 5.62
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
As the materials and methodssection of [1] refers to the receptor in upper case we assume experiments were performed using the human protein and have mapped the data accordingly.
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TSH receptor Hs Agonist Agonist 7.7 pEC50 - 1
pEC50 7.7 (EC50 1.8x10-8 M) [1]