compound 8b [PMID: 22408719]

Ligand id: 9113

Name: compound 8b [PMID: 22408719]

Structure and Physico-chemical Properties

2D Structure
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 6.89
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

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 human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
TSH receptor Agonist Agonist 7.7 pEC50 - 1
pEC50 7.7 (EC50 1.8x10-8 M) [1]