albitiazolium   Click here for help

GtoPdb Ligand ID: 10407

Synonyms: SAR97276 | T3
Antimalarial Ligand
Compound class: Synthetic organic
Comment: Albitiazolium was the clinical lead from the bisthiazolium series, a novel class of choline analogue with potent antimalarial activity [2-3].
We display the structure of the parent compound, with PubChem and ChEMBL links provided in the table below. However, the INN-assigned compound is in complex with bromide (represented in PubChem CID 11377022) and this compound is used in the experimental data listed under the 'biological activity' tab.

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 2
Hydrogen bond donors 2
Rotatable bonds 17
Topological polar surface area 104.7
Molecular weight 454.27
XLogP 6.8
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES OCCc1sc[n+](c1C)CCCCCCCCCCCC[n+]1csc(c1C)CCO
Isomeric SMILES OCCc1sc[n+](c1C)CCCCCCCCCCCC[n+]1csc(c1C)CCO
InChI InChI=1S/C24H42N2O2S2/c1-21-23(13-17-27)29-19-25(21)15-11-9-7-5-3-4-6-8-10-12-16-26-20-30-24(14-18-28)22(26)2/h19-20,27-28H,3-18H2,1-2H3/q+2
InChI Key UZPXHZIQHWKNPF-UHFFFAOYSA-N
No information available.
Summary of Clinical Use Click here for help
Albitiazolium was under clinical investigation but further development as a treatment for malaria was terminated following Phase 2 evaluation (NCT01445938 and NCT00739206)[1].
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT00739206 Study of SAR97276A in the Treatment of Uncomplicated and Severe Malaria in Adults and Children. Phase 2 Interventional Sanofi
NCT01445938 Anti-parasitic Activity and Safety Assessment of SAR97276A in Children With Uncomplicated Malaria Phase 2 Interventional Sanofi