Ligand id: 5857

Name: CJ-042794

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 75.63
Molecular weight 413.08
XLogP 5.74
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Ma X, Holt D, Kundu N, Reader J, Goloubeva O, Take Y, Fulton AM. (2013)
A prostaglandin E (PGE) receptor EP4 antagonist protects natural killer cells from PGE2-mediated immunosuppression and inhibits breast cancer metastasis.
Oncoimmunology, 2 (1): e22647. [PMID:23482441]
2. Murase A, Okumura T, Sakakibara A, Tonai-Kachi H, Nakao K, Takada J. (2008)
Effect of prostanoid EP4 receptor antagonist, CJ-042,794, in rat models of pain and inflammation.
Eur. J. Pharmacol., 580 (1-2): 116-21. [PMID:18031725]