Ligand id: 5277

Name: orlistat

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: orlistat

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 24
Topological polar surface area 81.7
Molecular weight 495.39
XLogP 10.26
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Bisogno T, Howell F, Williams G, Minassi A, Cascio MG, Ligresti A, Matias I, Schiano-Moriello A, Paul P, Williams EJ et al.. (2003)
Cloning of the first sn1-DAG lipases points to the spatial and temporal regulation of endocannabinoid signaling in the brain.
J. Cell Biol., 163 (3): 463-8. [PMID:14610053]
2. Bustanji Y, Issa A, Mohammed M, Hudaib M, Tawah, K, Alkhatib H, Almarsi I, Al-Khalidi B. (2010)
Inhibition of hormone sensitive lipase and pancreatic lipase by Rosmarinus officinalis extract and selected phenolic constituents.
Journal of Medicinal Plants Research, 4 (21): 2235-2242.
3. Hoover HS, Blankman JL, Niessen S, Cravatt BF. (2008)
Selectivity of inhibitors of endocannabinoid biosynthesis evaluated by activity-based protein profiling.
Bioorg. Med. Chem. Lett., 18 (22): 5838-41. [PMID:18657971]