orlistat

Ligand id: 5277

Name: orlistat

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Structure and Physico-chemical Properties

2D Structure
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

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
Primary target is pancreatic triacylglycerol lipase (P16233) but this compound also inhibits Sn1-specific diacylglycerol lipases α (Q9Y4D2) and β (Q8NCG7).
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
pancreatic lipase Inhibitor Inhibition 8.9 pIC50 - 2
pIC50 8.9 (IC50 1.3x10-9 M) [2]
Diacylglycerol lipase α Inhibitor Inhibition 7.2 pIC50 - 1
pIC50 7.2 (IC50 6x10-8 M) [1]
Diacylglycerol lipase β Inhibitor Inhibition 7.0 pIC50 - 1
pIC50 7.0 (IC50 1x10-7 M) [1]