Ligand id: 2783

Name: eldecalcitol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 90.15
Molecular weight 490.37
XLogP 5.88
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Miyamoto K, Murayama E, Ochi K, Watanabe H, Kubodera N. (1993)
Synthetic studies of vitamin D analogues. XIV. Synthesis and calcium regulating activity of vitamin D3 analogues bearing a hydroxyalkoxy group at the 2 beta-position.
Chem. Pharm. Bull., 41 (6): 1111-3. [PMID:8396500]
2. Sanford M, McCormack PL. (2011)
Eldecalcitol: a review of its use in the treatment of osteoporosis.
Drugs, 71 (13): 1755-70. [PMID:21902297]
3. Smith SY, Doyle N, Boyer M, Chouinard L, Saito H. (2013)
Eldecalcitol, a vitamin D analog, reduces bone turnover and increases trabecular and cortical bone mass, density, and strength in ovariectomized cynomolgus monkeys.
Bone, 57 (1): 116-22. [PMID:23774444]