Ligand id: 8907

Name: edaglitazone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 134.97
Molecular weight 464.09
XLogP 5.53
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Dietz M, Mohr P, Kuhn B, Maerki HP, Hartman P, Ruf A, Benz J, Grether U, Wright MB. (2012)
Comparative molecular profiling of the PPARα/γ activator aleglitazar: PPAR selectivity, activity and interaction with cofactors.
ChemMedChem, 7 (6): 1101-11. [PMID:22489042]
2. Fürnsinn C, Brunmair B, Meyer M, Neschen S, Furtmüller R, Roden M, Kühnle HF, Nowotny P, Schneider B, Waldhäusl W. (1999)
Chronic and acute effects of thiazolidinediones BM13.1258 and BM15.2054 on rat skeletal muscle glucose metabolism.
Br. J. Pharmacol., 128 (6): 1141-8. [PMID:10578125]