calhex 231

Ligand id: 714

Name: calhex 231

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 41.13
Molecular weight 406.18
XLogP 8.07
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Petrel C, Kessler A, Maslah F, Dauban P, Dodd RH, Rognan D, Ruat M. (2003)
Modeling and mutagenesis of the binding site of Calhex 231, a novel negative allosteric modulator of the extracellular Ca(2+)-sensing receptor.
J Biol Chem.278: 49487-49494. [PMID:14506236]