Ligand id: 9570

Name: C391

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 6
Rotatable bonds 22
Topological polar surface area 244.92
Molecular weight 767.39
XLogP 0.01
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
C391 antagonises intracellular calcium mobilisation and MAPK pathway activation induced by peptidomimetic or proteinase activation of human PAR2.
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
PAR2 Hs Antagonist Antagonist 4.8 – 5.9 pIC50 - 1
pIC50 5.9 (IC50 1.3x10-6 M) [1]
Description: Antagonism of peptidomimetic-induced PAR2 Ca2+ signalling in 16HBE14o- cells.
pIC50 4.8 (IC50 1.43x10-5 M) [1]
Description: Antagonism of 2-at-LIGRL-NH2-induced ERK phosphorylation in 16HBE14o- cells.