Ligand id: 3947

Name: AC265347

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 61.36
Molecular weight 283.1
XLogP 5.51
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Cook AE, Mistry SN, Gregory KJ, Furness SG, Sexton PM, Scammells PJ, Conigrave AD, Christopoulos A, Leach K. (2015)
Biased allosteric modulation at the CaS receptor engendered by structurally diverse calcimimetics.
Br. J. Pharmacol., 172 (1): 185-200. [PMID:25220431]
2. Leach K, Gregory KJ, Kufareva I, Khajehali E, Cook AE, Abagyan R, Conigrave AD, Sexton PM, Christopoulos A. (2016)
Towards a structural understanding of allosteric drugs at the human calcium-sensing receptor.
Cell Res., 26 (5): 574-92. [PMID:27002221]
3. Ma JN, Owens M, Gustafsson M, Jensen J, Tabatabaei A, Schmelzer K, Olsson R, Burstein ES. (2011)
Characterization of highly efficacious allosteric agonists of the human calcium-sensing receptor.
J. Pharmacol. Exp. Ther., 337 (1): 275-84. [PMID:21239511]