(+)-SJ733

Ligand id: 9723

Name: (+)-SJ733

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 86.09
Molecular weight 468.12
XLogP 5.26
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
(3S,4S)-N-(3-cyano-4-fluorophenyl)-1-oxo-3-pyridin-3-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinoline-4-carboxamide
Synonyms
(+)-SJ000557733 | (+)-SJ557733
Comments
(+)-SJ733 is an antimalarial drug candidate, under clinical development. It is the optimised lead for the dihydroisoquinolones (DHIQ).
The (+)-enantiomer, shown here, has a significantly higher antimalarial potency [1].

Potential Target/Mechanism Of Action: Evidence from genetic experiments indicates that Plasmodium P-type ATPase4 (PfATP4) may be the relevant molecular target [1].
Database Links
CAS Registry No. 1424799-20-1 (source: Scifinder)
PubChem CID 89508529
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