warfarin

Ligand id: 6853

Name: warfarin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 63.6
Molecular weight 308.1
XLogP 5.34
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Bioactivity Comments
In vitro potencies are low but the MMOA is inhibition of vitamin K 2,3-epoxide reductase (VKOR) enzymes, specifically VKORC1.
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
vitamin K epoxide reductase complex subunit 1 Inhibitor Inhibition 5.6 pKi - 1
pKi 5.6 (Ki 2.633x10-6 M) [1]