HTI-1   Click here for help

GtoPdb Ligand ID: 11255

Synonyms: compound 1c
Antimalarial Ligand
Compound class: Synthetic organic
Comment: HTI-1 is a derivative of the glucose analogue C3361, with improved inhibition of the Plasmodium hexose transporter (PfHT1) [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 4
Rotatable bonds 12
Topological polar surface area 121.5
Molecular weight 435.23
XLogP 2.36
No. Lipinski's rules broken 1
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Canonical SMILES OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)OCCCCCCCCOc1ccc2c(c1)cccn2)O
Isomeric SMILES OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)OCCCCCCCCOc1ccc2c(c1)cccn2)O
InChI InChI=1S/C23H33NO7/c25-15-19-20(26)22(21(27)23(28)31-19)30-13-6-4-2-1-3-5-12-29-17-9-10-18-16(14-17)8-7-11-24-18/h7-11,14,19-23,25-28H,1-6,12-13,15H2/t19-,20-,21-,22+,23?/m1/s1
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 1c
Database Links Click here for help
GtoPdb PubChem SID 434122315
PubChem CID 154699468
Search Google for chemical match using the InChIKey PHDIJLFSKNMCMI-ITGJKDDRSA-N
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