AP18

Ligand id: 4134

Name: AP18

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 32.59
Molecular weight 209.06
XLogP 3.63
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
TRPA1 Gating inhibitor Inhibition 5.5 pIC50 - 1
pIC50 5.5 (IC50 3.1x10-6 M) [1]
Description: Fluorometric Imaging Plate Reader (FLIRP) calcium-influx assay
Conditions: CHO cells expressing human TRPA1
TRPA1 Channel blocker Inhibition 5.5 pIC50 - 1
pIC50 5.5 (IC50 3.1x10-6 M) [1]
Description: Fluorometric Imaging Plate Reader (FLIRP) calcium-influx assay
Conditions: CHO cells sxpressing human TRPA1
Selectivity at mouse ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
TRPA1 Gating inhibitor Inhibition 5.3 pIC50 - 1
pIC50 5.3 (IC50 4.5x10-6 M) [1]
Description: Fluorometric Imaging Plate Reader (FLIRP) calcium-influx assay