CHMFL-PI4K-127   Click here for help

GtoPdb Ligand ID: 11285

Antimalarial Ligand
Compound class: Synthetic organic
Comment: CHMFL-PI4K-127 is an inhibitor of P. falciparum phosphatidylinositol 4-kinase (PfP14K) with a novel bipyridine-sulfonamide chemotype.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 109.43
Molecular weight 402.06
XLogP 2.27
No. Lipinski's rules broken 0
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Canonical SMILES CNC(=O)c1cncc(c1)c1cnc(c(c1)NS(=O)(=O)c1ccccc1)Cl
Isomeric SMILES CNC(=O)c1cncc(c1)c1cnc(c(c1)NS(=O)(=O)c1ccccc1)Cl
InChI InChI=1S/C18H15ClN4O3S/c1-20-18(24)14-7-12(9-21-10-14)13-8-16(17(19)22-11-13)23-27(25,26)15-5-3-2-4-6-15/h2-11,23H,1H3,(H,20,24)
Guide to Malaria Pharmacology Comments
Potential Target/Mechanism Of Action: CHMFL-PI4K-127 inhibits P. falciparum phosphatidylinositol-4-kinase (PfPI4K) and exhibits good selectivity over kinases of the human host [1].