compound 4 [PMID: 22984835]

Ligand id: 5905

Name: compound 4 [PMID: 22984835]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 2
Rotatable bonds 17
Topological polar surface area 169.6
Molecular weight 599.26
XLogP 2.33
No. Lipinski's rules broken 2

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 pKi - 1
pKi 6.9 (Ki 1.39x10-7 M) [1]