Ligand id: 3322

Name: zafirlukast

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 124.11
Molecular weight 575.21
XLogP 5.83
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!)

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
CysLT2 receptor Antagonist Antagonist 6.9 pA2 -
pA2 6.9 against LTC4 Ca2+ mobilisation assay in HUVEC
CysLT1 receptor Antagonist Antagonist 8.9 pKi - 1,4
pKi 8.9 against [3H]LTD4 in human lung parenchyma [1,4]
CysLT1 receptor Antagonist Antagonist 7.7 – 9.6 pIC50 - 3,5-6
pIC50 9.6 (IC50 2.6x10-10 M) against 33nM LTD4 Ca2+ mobilization assay in HEK-293 [5]
pIC50 8.6 – 8.7 (IC50 2.6x10-9 – 1.8x10-9 M) against [3H]LTD4 in COS-7 or HEK-293 cells [3,5]
pIC50 7.7 (IC50 2x10-8 M) against 10nM LTD4 aequorin-based Ca2+ assay in CHO cells [6]
CysLT2 receptor Antagonist Antagonist 5.1 – 5.2 pIC50 - 2,6
pIC50 5.2 (IC50 7x10-6 M) against 10nM LTD4 aequorin-based Ca2+ assay in CHO cells [6]
pIC50 5.1 (IC50 7.397x10-6 M) againist [3H]LTD4 in COS-7 cells [2]