MMV048

Ligand id: 9726

Name: MMV048

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 94.32
Molecular weight 393.08
XLogP 4.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-amine
Synonyms
MMV390048
Comments
Phenotypic whole cell high-throughput screening has identified the 2-aminopyridines as a class of small molecules with promising antimalarial activity [3]. The optimised lead compound from this class, MMV048, has activity against all lifecycle stages of the Plasmodium parasite, with the exception of late stage hypnozoites [2].
MMV048 has progressed to clinical evaluation and was awarded MMV Project of the Year award (2012).

Potential Target/Mechanism Of Action: Genomic and chemoproteomic experiments provide significant evidence that the molecular target of MMV048 is the Plasmodium lipid kinase, phosphatidylinositol 4-kinase (PfPI4K) [2].
Database Links
CAS Registry No. 1314883-11-8 (source: PubChem)
ChEMBL Ligand CHEMBL2041980
PubChem CID 53311393
Search Google for chemical match using the InChIKey RTJQABCNNLMCJF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RTJQABCNNLMCJF
Search UniChem for chemical match using the InChIKey RTJQABCNNLMCJF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RTJQABCNNLMCJF