WEHI-842

Ligand id: 10616

Name: WEHI-842

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 7
Rotatable bonds 25
Topological polar surface area 219.49
Molecular weight 669.38
XLogP 3.57
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
Comments
WEHI-842 was developed as a potent inhibitor of Plasmodium plasmepsin V, a promising target for antimalarial drug development [2].

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
ChEMBL Ligand CHEMBL3782104
GtoPdb PubChem SID 404859063
PubChem CID 85470898
RCSB PDB Ligand 4PK
Search Google for chemical match using the InChIKey VAHRPHLZONNTFF-NUISNXNRSA-N
Search Google for chemicals with the same backbone VAHRPHLZONNTFF
Search UniChem for chemical match using the InChIKey VAHRPHLZONNTFF-NUISNXNRSA-N
Search UniChem for chemicals with the same backbone VAHRPHLZONNTFF