U46619

Ligand id: 1888

Name: U46619

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 66.76
Molecular weight 350.25
XLogP 4.63
No. Lipinski's rules broken 1

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. Kiriyama M, Ushikubi F, Kobayashi T, Hirata M, Sugimoto Y, Narumiya S. (1997)
Ligand binding specificities of the eight types and subtypes of the mouse prostanoid receptors expressed in Chinese hamster ovary cells.
Br. J. Pharmacol., 122: 217-224. [PMID:9313928]
4. Sawyer N, Cauchon E, Chateauneuf A, Cruz RP, Nicholson DW, Metters KM, O'Neill GP, Gervais FG. (2002)
Molecular pharmacology of the human prostaglandin D2 receptor, CRTH2.
Br J Pharmacol, 137: 1163-1172. [PMID:12466225]
5. Wright DH, Metters KM, Abramovitz M, Ford-Hutchinson AW. (1998)
Characterization of the recombinant human prostaglandin DP-receptor identifies L-644,698 a novel, DP-selective agonist.
Br. J. Pharmacol., 123: 1317-1324. [PMID:9579725]