MMV253

Ligand id: 10024

Name: MMV253

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 87.03
Molecular weight 465.28
XLogP 3.98
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
2-N-(4-cyclopropyl-5-fluoro-6-methylpyridin-2-yl)-5-[(3R)-3,4-dimethylpiperazin-1-yl]-4-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-2,4-diamine
Synonyms
AZ13721412
Comments
MMV253 is the preclinical candidate for the triaminopyrimidines (TAPs), a novel class of antimalarial compounds identified from a phenotypic screen [1].

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
GtoPdb PubChem SID 375973213
PubChem CID 92045019
Search Google for chemical match using the InChIKey HKPQFVAUXAZCDY-OAHLLOKOSA-N
Search Google for chemicals with the same backbone HKPQFVAUXAZCDY
Search UniChem for chemical match using the InChIKey HKPQFVAUXAZCDY-OAHLLOKOSA-N
Search UniChem for chemicals with the same backbone HKPQFVAUXAZCDY