Ligand id: 9460

Name: AC264613

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 70.56
Molecular weight 399.06
XLogP 4.42
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Gardell LR, Ma JN, Seitzberg JG, Knapp AE, Schiffer HH, Tabatabaei A, Davis CN, Owens M, Clemons B, Wong KK et al.. (2008)
Identification and characterization of novel small-molecule protease-activated receptor 2 agonists.
J. Pharmacol. Exp. Ther., 327 (3): 799-808. [PMID:18768780]
2. Seitzberg JG, Knapp AE, Lund BW, Mandrup Bertozzi S, Currier EA, Ma JN, Sherbukhin V, Burstein ES, Olsson R. (2008)
Discovery of potent and selective small-molecule PAR-2 agonists.
J. Med. Chem., 51 (18): 5490-3. [PMID:18720984]