Ligand id: 1897

Name: BWA868C

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 110.18
Molecular weight 459.27
XLogP 6.06
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Boie Y, Sawyer N, Slipetz DM, Metters KM, Abramovitz M. (1995)
Molecular cloning and characterization of the human prostanoid DP receptor.
J. Biol. Chem., 270: 18910-18916. [PMID:7642548]
2. Giles H, Leff P, Bolofo ML, Kelly MG, Robertson AD. (1989)
The classification of prostaglandin DP-receptors in platelets and vasculature using BW A868C, a novel, selective, and potent competitive antagonist.
Br. J. Pharmacol., 96: 291-300. [PMID:2924081]
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. 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]