Ligand id: 730

Name: CP55940

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 60.69
Molecular weight 376.3
XLogP 7.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Baker D, Pryce G, Davies WL, Hiley CR. (2006)
In silico patent searching reveals a new cannabinoid receptor.
Trends Pharmacol. Sci., 27 (1): 1-4. [PMID:16318877]
2. Blaazer AR, Lange JH, van der Neut MA, Mulder A, den Boon FS, Werkman TR, Kruse CG, Wadman WJ. (2011)
Novel indole and azaindole (pyrrolopyridine) cannabinoid (CB) receptor agonists: design, synthesis, structure-activity relationships, physicochemical properties and biological activity.
Eur J Med Chem, 46 (10): 5086-98. [PMID:21885167]
3. Felder CC, Joyce KE, Briley EM, Mansouri J, Mackie K, Blond O, Lai Y, Ma AL, Mitchell RL. (1995)
Comparison of the pharmacology and signal transduction of the human cannabinoid CB1 and CB2 receptors.
Mol. Pharmacol., 48: 443-450. [PMID:7565624]
4. Kapur A, Zhao P, Sharir H, Bai Y, Caron MG, Barak LS, Abood ME. (2009)
Atypical responsiveness of the orphan receptor GPR55 to cannabinoid ligands.
J. Biol. Chem., 284 (43): 29817-27. [PMID:19723626]
5. Petitet F, Donlan M, Michel A. (2006)
GPR55 as a new cannabinoid receptor: still a long way to prove it.
Chem Biol Drug Des, 67 (3): 252-3. [PMID:16611220]
6. Ross RA, Brockie HC, Stevenson LA, Murphy VL, Templeton F, Makriyannis A, Pertwee RG. (1999)
Agonist-inverse agonist characterization at CB1 and CB2 cannabinoid receptors of L759633, L759656 and AM630.
Br. J. Pharmacol., 126: 665-672. [PMID:10188977]
7. Ryberg E, Larsson N, Sj√∂gren S, Hjorth S, Hermansson NO, Leonova J, Elebring T, Nilsson K, Drmota T, Greasley PJ. (2007)
The orphan receptor GPR55 is a novel cannabinoid receptor.
Br J Pharmacol, 152: 1092-1101. [PMID:17876302]
8. Showalter VM, Compton DR, Martin BR, Abood ME. (1996)
Evaluation of binding in a transfected cell line expressing a peripheral cannabinoid receptor (CB2): Identification of cannabinoid receptor subtype selective ligands.
J. Pharmacol. Exp. Ther., 278: 989-999. [PMID:8819477]