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]