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
IUPAC Name
2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-$l^{6}-sulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Database Links
PubChem CID 51347395
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
Comments
DSM265 is a selective inhibitor of malarial dihydroorotate dehydrogenase (DHODH) in vitro and is active against both blood and liver stages of P. falciparum in vivo [1]. Favorable pharmacokinetic properties have facilitated progression to clinical trial [2]