Ligand id: 10093

Name: UCT943

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 84.14
Molecular weight 427.16
XLogP 3.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Guide to Malaria Pharmacology Comments
Phenotypic whole cell high-throughput screening has identified the 2-aminopyridines as a class of small molecules with promising antimalarial activity [5]. From this series, UCT943 was optimized for antiplasmodial activity by structural modification of the clinical candidate MMV048 and shown to have asexual blood stage, transmission-blocking, and liver stage activities [1-2]. UCT943 was being developed as a back-up compound to MMV048 but has been withdrawn due to preclinical toxicity concerns.
The compound formulation is claimed in patent WO2013121387 [4].

Potential Target/Mechanism Of Action: Genomic experiments provide evidence that the molecular target of UCT943 is the Plasmodium lipid kinase, phosphatidylinositol 4-kinase (PfPI4K) [1]. This lipid kinase has been proposed to act at the Golgi to regulate essential membrane trafficking events [3].