MMV024101   

GtoPdb Ligand ID: 10017

Compound class: Synthetic organic
Comment: MMV024101 is one of the compounds with antimalarial activity from the Medicines for Malaria Venture (MMV) Pathogen Box.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 135.89
Molecular weight 352.07
XLogP 0.83
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NS(=O)(=O)c1cncc(c1)c1ccc2c(n1)c(ccn2)c1c[nH]nc1
Isomeric SMILES NS(=O)(=O)c1cncc(c1)c1ccc2c(n1)c(ccn2)c1c[nH]nc1
InChI InChI=1S/C16H12N6O2S/c17-25(23,24)12-5-10(6-18-9-12)14-1-2-15-16(22-14)13(3-4-19-15)11-7-20-21-8-11/h1-9H,(H,20,21)(H2,17,23,24)
InChI Key GTWOKQIGBJADIZ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
5-[8-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide
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