diarylpropionitrile

Ligand id: 2825

Name: diarylpropionitrile

Abbreviated name: DPN

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 64.25
Molecular weight 239.09
XLogP 2.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Meyers MJ, Sun J, Carlson KE, Marriner GA, Katzenellenbogen BS, Katzenellenbogen JA. (2001)
Estrogen receptor-beta potency-selective ligands: structure-activity relationship studies of diarylpropionitriles and their acetylene and polar analogues.
J. Med. Chem., 44 (24): 4230-51. [PMID:11708925]
2. Stauffer SR, Coletta CJ, Tedesco R, Nishiguchi G, Carlson K, Sun J, Katzenellenbogen BS, Katzenellenbogen JA. (2000)
Pyrazole ligands: structure-affinity/activity relationships and estrogen receptor-alpha-selective agonists.
J. Med. Chem., 43 (26): 4934-47. [PMID:11150164]
3. Waters EM, Mitterling K, Spencer JL, Mazid S, McEwen BS, Milner TA. (2009)
Estrogen receptor alpha and beta specific agonists regulate expression of synaptic proteins in rat hippocampus.
Brain Res., 1290: 1-11. [PMID:19596275]