DDD498

Ligand id: 9737

Name: DDD498

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 57.7
Molecular weight 462.24
XLogP 3.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
Synonyms
DDD107498 | M5717
Comments
DDD498 is a quinoline-4-carboxamide derivative that is the optimised lead developed from a phenotypic screen for novel antimalarial drugs and has advanced to clinical evaluation. The compound was awarded MMV Project of the Year (2014).
DDD498 has comparable activity against multiple stages of the malaria parasite lifecycle and is indicated for use as a combination therapy for acute uncomplicated malaria, with potential to be a single dose treatment [1].
The compound is example 1A from patent WO2013153357 [2]

Potential Target/Mechanism Of Action: Evidence from genetic experiments indicates that P. falciparum elongation factor 2 (PfeEF2) may be the molecular target [1].
Database Links
PubChem CID 71748268
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