Ligand id: 4156

Name: CGS8216

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 45.23
Molecular weight 261.09
XLogP 4.66
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!)

Bioactivity Comments
Data in the table below was generated using cells expressing human GABAA receptors composed of α1-, α2-, α3, α5- or α6β3γ2 subunits. We have mapped the interactions to the α subunits. CGS8216 appears to be selective for α subunits 1, 2, 3 and 5 over α6 containing receptors [1].
Selectivity at Human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
GABAA receptor α1 subunit Agonist Inverse agonist 10.3 pKi - 1
pKi 10.3 (Ki 5x10-11 M) [1]
GABAA receptor α2 subunit Agonist Inverse agonist 10.1 pKi - 1
pKi 10.1 (Ki 8x10-11 M) [1]
GABAA receptor α3 subunit Agonist Inverse agonist 9.9 pKi - 1
pKi 9.9 (Ki 1.2x10-10 M) [1]
GABAA receptor α5 subunit Agonist Inverse agonist 9.6 pKi - 1
pKi 9.6 (Ki 2.5x10-10 M) [1]
GABAA receptor α6 subunit Agonist Inverse agonist 7.8 pKi -
pKi 7.8 (Ki 1.7x10-8 M)