E209   Click here for help

GtoPdb Ligand ID: 10465

Antimalarial Ligand
Compound class: Synthetic organic
Comment: E209 is a fully synthetic tetraoxane analogue with potent antimalarial activity [1].

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
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 49.39
Molecular weight 501.29
XLogP 6.88
No. Lipinski's rules broken 1
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Canonical SMILES FC1CCN(CC1)CCOc1ccc(cc1)C1CCC2(CC1)OOC1(OO2)C2CC3CC1CC(C2)C3
Isomeric SMILES FC1CCN(CC1)CCOc1ccc(cc1)C1CCC2(CC1)OOC1(OO2)C2CC3CC1CC(C2)C3
InChI InChI=1S/C29H40FNO5/c30-26-7-11-31(12-8-26)13-14-32-27-3-1-22(2-4-27)23-5-9-28(10-6-23)33-35-29(36-34-28)24-16-20-15-21(18-24)19-25(29)17-20/h1-4,20-21,23-26H,5-19H2
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name Click here for help
Database Links Click here for help
ChEMBL Ligand CHEMBL4288940
GtoPdb PubChem SID 385612225
PubChem CID 132542931
Search Google for chemical match using the InChIKey RDWGXWFRQYUDIZ-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey RDWGXWFRQYUDIZ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RDWGXWFRQYUDIZ-UHFFFAOYSA-N