NSC157058   Click here for help

GtoPdb Ligand ID: 9652

Compound class: Synthetic organic
Comment: NSC157058, the most potent compound reported in this paper [1], 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].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 67.35
Molecular weight 188.96
XLogP 1.92
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1nc2n[nH]nc2nc1Cl
Isomeric SMILES Clc1nc2n[nH]nc2nc1Cl
InChI InChI=1S/C4HCl2N5/c5-1-2(6)8-4-3(7-1)9-11-10-4/h(H,7,8,9,10,11)
InChI Key RKHFIGLWZHVDCG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5,6-dichloro-2H-triazolo[4,5-e]pyrazine
Database Links Click here for help
GtoPdb PubChem SID 340590282
PubChem CID 423738
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