AH23848

Ligand id: 1949

Name: AH23848

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 76.07
Molecular weight 477.25
XLogP 6.7
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Abramovitz M, Adam M, Boie Y, Carriere M, Denis D, Godbout C, Lamontagne S, Rochette C, Sawyer N, Tremblay NM, Belley M, Gallant M, Dufresne C, Gareau Y, Ruel R, Juteau H, Labelle M, Ouimet N, Metters KM. (2000)
The utilization of recombinant prostanoid receptors to determine the affinities and selectivities of prostaglandins and related analogues.
Biochim. Biophys. Acta.1483: 285-293. [PMID:10634944]
2. Boie Y, Stocco R, Sawyer N, Slipetz DM, Ungrin MD, Neuschafer-Rube F, Puschel GP, Metters KM, Abramovitz M. (1997)
Molecular cloning and characterisation of the four rat prostaglandin E2 prostanoid receptor subtypes.
Eur. J. Pharmacol.304: 227-241. [PMID:9537820]
3. Davis TL, Sharif NA. (2000)
Pharmacological characterization of [(3)H]-prostaglandin E(2) binding to the cloned human EP(4) prostanoid receptor.
Br J Pharmacol130: 1919-1926. [PMID:10952683]