BRD3444

Ligand id: 9648

Name: BRD3444

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 65.04
Molecular weight 495.25
XLogP 8.35
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
Anti-parasite activity in vitro against Pfal Dd2 EC50 = 9 nM
Selectivity at other protein targets
Key to terms and symbols Click on species/strain names for details Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit Pf3D7 Inhibitor Inhibition 7.3 pIC50 - 1
pIC50 7.3 (IC50 4.6x10-8 M) [1]