Ligand id: 6196

Name: BayCysLT2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 17
Topological polar surface area 131.39
Molecular weight 589.27
XLogP 7.11
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 8.3 – 8.4 pA2 - 1
pA2 8.4 against LTC4 and LTD4 Ca2+ mobilisation assays in HUVEC [1]
pA2 8.3 against LTD4 Ca2+ mobilisation assay in COS-7 cells [1]
CysLT1 receptor Antagonist Antagonist 6.4 pA2 - 1
pA2 6.4 against LTD4 Ca2+ mobilisation assay in COS-7 cells [1]
CysLT2 receptor Antagonist Antagonist 6.6 – 7.3 pIC50 - 2
pIC50 6.6 – 7.3 (IC50 2.74x10-7 – 5.3x10-8 M) against 30-300nM LTD4 arrestin assay in C2C12 myofibroblasts [2]