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)
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name Click here for help
Database Links Click here for help
GtoPdb PubChem SID 434321720
PubChem CID 141754964
Search Google for chemical match using the InChIKey IHWSJFBJORCEAK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IHWSJFBJORCEAK
UniChem Compound Search for chemical match using the InChIKey IHWSJFBJORCEAK-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey IHWSJFBJORCEAK-UHFFFAOYSA-N