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 3.15
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 is the drug-like lead discovered as a result of a SAR investigation and is a 2,8-Disubstituted-1,5-naphthyridine derivative of MMV024101 [2].

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
GtoPdb PubChem SID 375973206
PubChem CID 134813901
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