compound 27 [PMID: 22142545]

Ligand id: 8757

Name: compound 27 [PMID: 22142545]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 63.27
Molecular weight 340.19
XLogP 2.22
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
Compound 27 is orally active and efficacious in the anti-hyperactivity MK-801 rat model [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
phosphodiesterase 10A Inhibitor Inhibition 8.3 pKi - 1
pKi 8.3 (Ki 5x10-9 M) [1]