Molecule Details
InChIKeyQEMCDXCXSVPAAB-UHFFFAOYSA-N
Compound Name1-(2-cyclopropylethyl)-3-(1,1-dioxo-2H-1,2,4-benzothiadiazin-3-yl)-6-fluoro-4-hydroxy-2(1H)-quinolinone
Canonical SMILESO=c1c(C2=Nc3ccccc3S(=O)(=O)N2)c(O)c2cc(F)ccc2n1CCC1CC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL6.99
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB08278
Drug Name1-(2-cyclopropylethyl)-3-(1,1-dioxo-2H-1,2,4-benzothiadiazin-3-yl)-6-fluoro-4-hydroxy-2(1H)-quinolinone
CAS Number477931-14-9
Groups experimental
ATC Codes nan
Descriptionnan

Categories: Heterocyclic Compounds, Fused-Ring Quinolines RNA Replicase, antagonists & inhibitors RNA-Dependent RNA Polymerase, antagonists & inhibitors Sulfur Compounds Thiazines
Cross-references: BindingDB: 50181559 CHEMBL372357 ChemSpider: 20114428 PDB: NN2 PubChem:5273394 PubChem:99444749 ZINC: ZINC000100036569
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P11712 CYP2C9 Homo sapiens Human PF00067 6.0 IC50 ChEMBL;BindingDB
O39930 NS5b Hepacivirus hominis Pathogen PF00998 7.9 IC50 ChEMBL
DrugBank Target Actions (1)
Target Gene Target Name Action Type
P26663 Genome polyprotein binder targets