compound 3a [PMID: 22873688]

Ligand id: 5911

Name: compound 3a [PMID: 22873688]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 7
Topological polar surface area 257.29
Molecular weight 470.05
XLogP -3.44
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

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
P2Y1 receptor Mg Agonist Full agonist 7.4 pEC50 - 1
pEC50 7.4 (EC50 3.8x10-8 M) [1]