Ligand id: 2948

Name: etalocib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 85.22
Molecular weight 544.23
XLogP 9.08
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
BLT1 receptor Antagonist Antagonist 7.8 pKi - 1
pKi 7.8 (Ki 1.76x10-8 M) [1]
BLT1 receptor Antagonist Antagonist 7.5 – 9.3 pIC50 - 1
pIC50 7.5 – 9.3 (IC50 3.2x10-8 – 5x10-10 M) [1]