MMV253

Ligand id: 10024

Name: MMV253

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 87.03
Molecular weight 465.28
XLogP 3.36
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 antimalarial compounds identified from a phenotypic screen [1]. It is compound 13 in patent WO2015165660 [2].

Potential Target/Mechanism Of Action: Evidence from genetic experiments indicates that Plasmodium vacuolar ATP-synthase sub-unit D (PfATP4) may be a possible molecular target [1].
Database Links
GtoPdb PubChem SID 375973213
PubChem CID 92045019
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