Ligand id: 5568

Name: CP55,244

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 60.69
Molecular weight 402.31
XLogP 7.92
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Brown AJ, Daniels DA, Kassim M, Brown S, Haslam CP, Terrell VR, Brown J, Nichols PL, Staton PC, Wise A et al.. (2011)
Pharmacology of GPR55 in yeast and identification of GSK494581A as a mixed-activity glycine transporter subtype 1 inhibitor and GPR55 agonist.
J. Pharmacol. Exp. Ther., 337 (1): 236-46. [PMID:21233197]