NN2

1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-ONE


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Chemical Component Summary

Name1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-ONE
Identifiers1-(2-cyclopropylethyl)-3-(1,1-dioxo-2H-benzo[e][1,2,4]thiadiazin-3-yl)-6-fluoro-4-hydroxy-quinolin-2-one
FormulaC21 H18 F N3 O4 S
Molecular Weight427.449
TypeNON-POLYMER
Isomeric SMILESc1ccc2c(c1)N=C(NS2(=O)=O)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O
InChIInChI=1S/C21H18FN3O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10H2,(H,23,24)
InChIKeyQEMCDXCXSVPAAB-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count0
Bond Count52
Aromatic Bond Count17

Drug Info: DrugBank

DrugBank IDDB08278 
Name1-(2-cyclopropylethyl)-3-(1,1-dioxo-2H-1,2,4-benzothiadiazin-3-yl)-6-fluoro-4-hydroxy-2(1H)-quinolinone
Groups experimental
Synonyms1-(2-cyclopropylethyl)-3-(1,1-dioxo-2H-1,2,4-benzothiadiazin-3-yl)-6-fluoro-4-hydroxy-2(1H)-quinolinone
Categories
  • Heterocyclic Compounds, Fused-Ring
  • Quinolines
  • RNA Replicase, antagonists & inhibitors
  • RNA-Dependent RNA Polymerase, antagonists & inhibitors
  • Sulfur Compounds
CAS number477931-14-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Genome polyproteinMSTNPKPQRKTKRNTNRRPQDVKFPGGGQIVGGVYLLPRRGPRLGVRAPR...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL372357
PubChem 135435181
ChEMBL CHEMBL372357