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

Bioactivity Comments
Anti-parasite activity in vitro against Pfal Dd2 EC50 = 9 nM
Selectivity at other protein targets
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Target Sp. Type Action Value Parameter 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]