A-317567

Ligand id: 4116

Name: A-317567

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 53.11
Molecular weight 397.25
XLogP 8.87
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
ASIC1 Rn Channel blocker - ~5.7 pIC50 - 1
pIC50 ~5.7 (IC50 ~2x10-6 M) ASIC1a [1]
ASIC3 Hs Channel blocker - ~5.0 pIC50 -
pIC50 ~5.0 (IC50 ~1x10-5 M)
ASIC2 Hs Channel blocker - ~4.5 pIC50 -
pIC50 ~4.5 (IC50 ~3x10-5 M)
Ligand mentioned in the following text fields