Ligand id: 1879

Name: L-644,698

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 103.14
Molecular weight 393.2
XLogP 4.35
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Wright DH, Metters KM, Abramovitz M, Ford-Hutchinson AW. (1998)
Characterization of the recombinant human prostanoid DP receptor and identification of L-644,698, a novel selective DP agonist.
Br. J. Pharmacol., 123 (7): 1317-24. [PMID:9579725]
2. Wright DH, Nantel F, Metters KM, Ford-Hutchinson AW. (1999)
A novel biological role for prostaglandin D2 is suggested by distribution studies of the rat DP prostanoid receptor.
Eur. J. Pharmacol., 377 (1): 101-15. [PMID:10448933]