Ligand id: 7539

Name: naloxegol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 24
Topological polar surface area 126.77
Molecular weight 651.36
XLogP -0.06
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Holzer P. (2008)
New approaches to the treatment of opioid-induced constipation.
Eur Rev Med Pharmacol Sci, 12 Suppl 1: 119-27. [PMID:18924451]
2. Panchal SJ, Müller-Schwefe P, Wurzelmann JI. (2007)
Opioid-induced bowel dysfunction: prevalence, pathophysiology and burden.
Int. J. Clin. Pract., 61 (7): 1181-7. [PMID:17488292]
3. Pappagallo M. (2001)
Incidence, prevalence, and management of opioid bowel dysfunction.
Am. J. Surg., 182 (5A Suppl): 11S-18S. [PMID:11755892]
4. Webster L, Dhar S, Eldon M, Masuoka L, Lappalainen J, Sostek M. (2013)
A phase 2, double-blind, randomized, placebo-controlled, dose-escalation study to evaluate the efficacy, safety, and tolerability of naloxegol in patients with opioid-induced constipation.
Pain, 154 (9): 1542-50. [PMID:23726675]