1-arylmethylpyrrolidin-2-yl ethanol amine

Ligand id: 711

Name: 1-arylmethylpyrrolidin-2-yl ethanol amine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 87.53
Molecular weight 433.22
XLogP 5.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Gavai AV, Vaz RJ, Mikkilineni AB, Roberge JY, Liu Y, Lawrence RM, Corte JR, Yang W, Bednarz M, Dickson JK, Ma Z, Seethala R, Feyen JH. (2005)
Discovery of novel 1-arylmethyl pyrrolidin-2-yl ethanol amines as calcium-sensing receptor antagonists.
Bioorg Med Chem Lett15: 5478-5482. [PMID:16216508]