compound 48/80

Ligand id: 5531

Name: compound 48/80

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 16
Topological polar surface area 63.78
Molecular weight 519.35
XLogP 5.09
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Compound 48/80 has been reported to inhibit phospholipase C [1]. As the precise molecular mechanism of action remains elusive, we do not have a primary molecular target for this compound.
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
MRGPRX2 Hs Agonist Agonist 5.7 pEC50 - 2
pEC50 5.7 (EC50 1.8x10-6 M) [2]