clopidogrel (active metabolite)

Ligand id: 1772

Name: clopidogrel (active metabolite)

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 105.64
Molecular weight 355.06
XLogP 2.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Immunopharmacology Comments
Experimental evidence indicates that P2Y12 receptors play a critical role in Th17 differentiation (in mouse models of autoimmune inflammatory diseases), and that P2Y12-selective antagonists reverse Th17 differentiation and ameliorate inflammatory sequelae [2]. These findings suggest potential for P2Y12 antagonists as therapeutics for autoimmune diseases.