NSC157058

Ligand id: 9652

Name: NSC157058

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 67.35
Molecular weight 188.96
XLogP 1.13
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5,6-dichloro-2H-triazolo[4,5-e]pyrazine
Database Links
PubChem CID 423738
Search Google for chemical match using the InChIKey RKHFIGLWZHVDCG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RKHFIGLWZHVDCG
Search UniChem for chemical match using the InChIKey RKHFIGLWZHVDCG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RKHFIGLWZHVDCG
Comments
NSC157058, the most potent compound reported in this paper, is a Zikavirus protease inhibitor, possibly binding at the NS2B-NS3 interface. It was also an inhibitor of ZIKV propagation in human fetal neural progenitor cells and in vivo in SJL mice [1].