Ligand id: 6187

Name: E339-3D6

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 24
Hydrogen bond donors 10
Rotatable bonds 46
Topological polar surface area 448.44
Molecular weight 1746.68
XLogP 10.29
No. Lipinski's rules broken 4

Molecular properties generated using the CDK

1. Iturrioz X, Alvear-Perez R, De Mota N, Franchet C, Guillier F, Leroux V, Dabire H, Le Jouan M, Chabane H, Gerbier R et al.. (2010)
Identification and pharmacological properties of E339-3D6, the first nonpeptidic apelin receptor agonist.
FASEB J., 24 (5): 1506-17. [PMID:20040517]