DSM265

Ligand id: 9644

Name: DSM265

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 55.11
Molecular weight 415.07
XLogP 5.79
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Comments
DSM265 is an optimised candidate from the triazolopyrimidine structural class and represents a new class of antimalarial drug. DSM265 is active against both asexual blood and liver stages of P. falciparum [3].
Favorable pharmacokinetic properties, compatible with single-dose treatment, have facilitated progression to clinical trial [1,4].

Potential Target/Mechanism Of Action: DSM265 is a selective inhibitor of malarial dihydroorotate dehydrogenase (DHODH) in vitro.
Database Links
ChEMBL Ligand CHEMBL1956285
GtoPdb PubChem SID 340590274
PubChem CID 51347395
RCSB PDB Ligand D65
Search Google for chemical match using the InChIKey OIZSVTOIBNSVOS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OIZSVTOIBNSVOS
Search UniChem for chemical match using the InChIKey OIZSVTOIBNSVOS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OIZSVTOIBNSVOS