AN13762

Ligand id: 10085

Name: AN13762

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 105.01
Molecular weight 355.13
XLogP 0.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
1-{5-[(1-hydroxy-7-methyl-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]pyrazine-2-carbonyl}-3-methylazetidin-3-ol
Synonyms
AN762
Comments
AN13762 is a preclinical antimalarial candidate optimized from the benzoxaboroles, a novel class of boron-containing compound [2].

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
GtoPdb PubChem SID 381118795
PubChem CID 132585226
Search Google for chemical match using the InChIKey VNWPYEKDGLKRAV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VNWPYEKDGLKRAV
Search UniChem for chemical match using the InChIKey VNWPYEKDGLKRAV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VNWPYEKDGLKRAV