gemfibrozil

Ligand id: 3439

Name: gemfibrozil

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 46.53
Molecular weight 250.16
XLogP 3.75
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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

Selectivity at human nuclear hormone receptors
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Target Type Action Affinity Units Concentration range (M) Reference
Peroxisome proliferator-activated receptor-α Agonist Agonist 4.2 pEC50 - 1
pEC50 4.2 (EC50 5.9x10-5 M) [1]
Selectivity at human transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
OATP1B1 Inhibitor Inhibition - - - 2
[2]
OATP1B3 Inhibitor Inhibition - - -
OATP2B1 Inhibitor Inhibition - - -