MMV024101   Click here for help

GtoPdb Ligand ID: 10017

Synonyms: compound 8 [PMID: 29889526]
Antimalarial Ligand
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.
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2D Structure
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Physico-chemical Properties
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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
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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)
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name Click here for help
Synonyms Click here for help
compound 8 [PMID: 29889526]
Database Links Click here for help
ChEMBL Ligand CHEMBL530228
GtoPdb PubChem SID 375973207
PubChem CID 25127876
Search Google for chemical match using the InChIKey GTWOKQIGBJADIZ-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey GTWOKQIGBJADIZ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey GTWOKQIGBJADIZ-UHFFFAOYSA-N