15-deoxy-Δ12,14-PGJ2

Ligand id: 1877

Name: 15-deoxy-Δ12,14-PGJ2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 54.37
Molecular weight 316.2
XLogP 5.34
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Hata AN, Zent R, Breyer MD, Breyer RM. (2003)
Expression and molecular pharmacology of the mouse CRTH2 receptor.
J Pharmacol Exp Ther306: 463-470. [PMID:12721327]
2. 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 Pharmacol137: 1163-1172. [PMID:12466225]
3. 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]