AN3661

Ligand id: 10084

Name: AN3661

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 66.76
Molecular weight 206.08
XLogP 0.85
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)propanoic acid
Comments
AN3661 is a compound with potent antimalarial activity and belongs to a novel class of boron-containing compounds, the benzoxaboroles [2].

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
CAS Registry No. 1268335-33-6 (source: Scifinder)
ChEMBL Ligand CHEMBL1643740
GtoPdb PubChem SID 381118794
PubChem CID 50898347
Search Google for chemical match using the InChIKey CEVOKIPNIZQANN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CEVOKIPNIZQANN
Search UniChem for chemical match using the InChIKey CEVOKIPNIZQANN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CEVOKIPNIZQANN