ML10   Click here for help

GtoPdb Ligand ID: 10225

Antimalarial Ligand
Compound class: Synthetic organic
Comment: ML10 is the lead compound from an imidazopyridine series with antimalarial activity [1].

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 1
Rotatable bonds 8
Topological polar surface area 100.87
Molecular weight 508.21
XLogP 4.38
No. Lipinski's rules broken 0
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Canonical SMILES CN(Cc1cc2nc(c(n2cc1C)c1ccnc(n1)CC1CC1)c1ccc(c(c1)NS(=O)(=O)C)F)C
Isomeric SMILES CN(Cc1cc2nc(c(n2cc1C)c1ccnc(n1)CC1CC1)c1ccc(c(c1)NS(=O)(=O)C)F)C
InChI InChI=1S/C26H29FN6O2S/c1-16-14-33-24(13-19(16)15-32(2)3)30-25(18-7-8-20(27)22(12-18)31-36(4,34)35)26(33)21-9-10-28-23(29-21)11-17-5-6-17/h7-10,12-14,17,31H,5-6,11,15H2,1-4H3
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
GtoPdb PubChem SID 381744907
PubChem CID 137553160
Search Google for chemical match using the InChIKey VRZZXBIIWWZFEI-UHFFFAOYSA-N
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