JPC-3210

Ligand id: 10395

Name: JPC-3210

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 45.15
Molecular weight 398.2
XLogP 6.54
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-fluoro-6-(trifluoromethyl)pyridin-3-yl]phenol
Synonyms
MMV892646
Comments
JPC-3210 has been identified as the lead for the 2-aminomethylphenol class of compounds and demonstrates promising antimalarial activity [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. 1609655-35-7 (source: Scifinder)
GtoPdb PubChem SID 384403674
PubChem CID 90122671
Search Google for chemical match using the InChIKey DYULPLHABFGTOQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DYULPLHABFGTOQ
Search UniChem for chemical match using the InChIKey DYULPLHABFGTOQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DYULPLHABFGTOQ