Ligand id: 10017

Name: MMV024101

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 135.89
Molecular weight 352.07
XLogP 0.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Guide to Malaria Pharmacology Comments
MMV024101 is an inhibitor of P. falciparum phosphatidylinositol-4-kinase (PfPI4K), and was the starting point that lead to the discovery of the 2,8-Disubstituted-1,5-naphthyridine PI4K inhibitor compound 55 [PMID: 29889526] [1].