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.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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)
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel