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

References
1. Herbert JM, Savi P. (2003)
P2Y12, a new platelet ADP receptor, target of clopidogrel.
Semin Vasc Med3: 113-122. [PMID:15199474]
2. Qin C, Zhou J, Gao Y, Lai W, Yang C, Cai Y, Chen S, Du C. (2017)
Critical Role of P2Y12 Receptor in Regulation of Th17 Differentiation and Experimental Autoimmune Encephalomyelitis Pathogenesis.
J. Immunol.,  [Epub ahead of print]. [PMID:28515278]
3. Savi P, Labouret C, Delesque N, Guette F, Lupker J, Herbert JM. (2001)
P2y(12), a new platelet ADP receptor, target of clopidogrel.
Biochem Biophys Res Commun283: 379-383. [PMID:11327712]