MMV024101

Ligand id: 10017

Name: MMV024101

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 135.89
Molecular weight 352.07
XLogP 0.63
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
Comments
MMV024101 is one of the compounds from the Medicines for Malaria Venture (MMV) Pathogen Box. It is an inhibitor of Plasmodial phosphatidylinositol-4-kinases (pfPI4Ks), and was the starting point that lead to the discovery of the 2,8-Disubstituted-1,5-naphthyridine PI4K inhibitor compound 55 [PMID: 29889526] [1].
Database Links
ChEMBL Ligand CHEMBL530228
GtoPdb PubChem SID 375973207
PubChem CID 25127876
Search Google for chemical match using the InChIKey GTWOKQIGBJADIZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GTWOKQIGBJADIZ
Search UniChem for chemical match using the InChIKey GTWOKQIGBJADIZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GTWOKQIGBJADIZ