PA21A092

Ligand id: 10415

Name: PA21A092

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 64.74
Molecular weight 439.16
XLogP 5.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
Synonyms
PA92
Comments
PA21A092 is a preclinical candidate for the pyrazoleamides, a novel class of antimalarial compounds [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. 1644386-69-5 (source: Scifinder)
GtoPdb PubChem SID 385612175
PubChem CID 85470655
Search Google for chemical match using the InChIKey AXHVMTZWSKDPRR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AXHVMTZWSKDPRR
Search UniChem for chemical match using the InChIKey AXHVMTZWSKDPRR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AXHVMTZWSKDPRR