Ligand id: 4148

Name: CACA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 63.32
Molecular weight 101.05
XLogP -0.58
No. Lipinski's rules broken 0

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
GABAA receptor ρ1 subunit Rn Agonist Agonist 4.1 pEC50 - 1
pEC50 4.1 (EC50 7.4x10-5 M) [1]