AZD3778

Ligand id: 7679

Name: AZD3778

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 87.33
Molecular weight 525.13
XLogP 4.75
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 for 40 analogues from the referenced paper can be retrieved as PubChem BioAssay ID 701276
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
CCR3 Antagonist Antagonist 8.2 pKi - 1
pKi 8.2 (Ki 6.3x10-9 M) [1]
Description: Assay using sodium salt of the compound
H1 receptor Antagonist Antagonist 7.5 pKi - 1
pKi 7.5 (Ki 3.16x10-8 M) [1]
Description: Assayed using the sodium salt of the compound
Selectivity at human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Kv11.1 Channel blocker Inhibition 4.8 pIC50 - 1
pIC50 4.8 (IC50 1.58x10-5 M) [1]