compound 4 [PMID: 23083103]

Ligand id: 6148

Name: compound 4 [PMID: 23083103]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 26
Hydrogen bond donors 8
Rotatable bonds 14
Topological polar surface area 501.12
Molecular weight 899.98
XLogP -6.05
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

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

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
P2Y12 receptor Hs Antagonist Antagonist 6.9 pIC50 - 1
pIC50 6.9 [1]