compound 55 [PMID: 29889526]

Ligand id: 10016

Name: compound 55 [PMID: 29889526]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 107.21
Molecular weight 430.07
XLogP 4.31
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
3-(8-(2-(Trifluoromethyl)pyridin-4-yl)-1,5-naphthyridin-2-yl)benzenesulfonamide
Comments
Compound 55 [PMID: 29889526] is drug-like lead that is an inhibitor of Plasmodium falciparum phosphatidylinositol-4-kinase (pfPI4K) [2]. It was discovered as a result of a SAR investigation, and is representative of a novel chemotype not previously explored for pfPI4K inhibitory activity. It is a 2,8-Disubstituted-1,5-naphthyridine derivative of MMV024101.
Database Links
GtoPdb PubChem SID 375973206
Search Google for chemical match using the InChIKey UNHBOZVTSNPRRO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UNHBOZVTSNPRRO
Search UniChem for chemical match using the InChIKey UNHBOZVTSNPRRO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UNHBOZVTSNPRRO