Ligand id: 9474

Name: encaleret

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 78.79
Molecular weight 513.21
XLogP 8.05
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Shinagawa Y, Inoue T, Katsushima T, Kiguchi T, Ikenogami T, Ogawa N, Fukuda K, Hirata K, Harada K, Takagi M et al.. (2011)
Discovery of a potent and short-acting oral calcilytic with a pulsatile secretion of parathyroid hormone.
ACS Med Chem Lett, 2 (3): 238-42. [PMID:24900301]