Ligand id: 8906

Name: CD2314

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 65.54
Molecular weight 364.15
XLogP 9.5
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

Bioactivity Comments
CD 2314 inhibits growth of human HNSCC 22B, 183A and 22A cells with IC50 values of 3.0, 5.7 and 8.0 μM respectively [2].
Selectivity at nuclear hormone receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
RAR-related orphan receptor-β Hs Agonist Agonist 6.8 pKd - 2
pKd 6.8 (Kd 1.45x10-7 M) [2]
RAR-related orphan receptor-α Hs Agonist Agonist <5.4 pKd - 2
pKd <5.4 (Kd >3.76x10-6 M) [2]