Ligand id: 9648

Name: BRD3444

Structure and Physico-chemical Properties

2D Structure
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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 4.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Guide to Malaria Pharmacology Comments
BRD3444 has promising activity against multiple lifecycle stages of the Plasmodium parasite [1].

Potential Target/Mechanism Of Action: Correlation of purified cPheRS IC50 values against parasite growth inhibition assays for a range of analogues, together with genetic evidence, indicate that PfcPheRS is the relevant molecular target of this bicyclic azetidine series [1].