RFZ

5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole

Created: 2007-10-19
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count4
Bond Count34
Aromatic Bond Count10
2D diagram of RFZ

Chemical Component Summary

Name5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole
Systematic Name (OpenEye OEToolkits)(2R,3R,4S,5R)-2-(5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
FormulaC12 H12 Cl2 N2 O4
Molecular Weight319.141
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Clc2cc1ncn(c1cc2Cl)C3OC(C(O)C3O)CO
SMILESCACTVS3.341OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(Cl)c(Cl)cc23
SMILESOpenEye OEToolkits1.5.0c1c2c(cc(c1Cl)Cl)n(cn2)C3C(C(C(O3)CO)O)O
Canonical SMILESCACTVS3.341 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3cc(Cl)c(Cl)cc23
Canonical SMILESOpenEye OEToolkits1.5.0 c1c2c(cc(c1Cl)Cl)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChIInChI1.03 InChI=1S/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2/t9-,10-,11-,12-/m1/s1
InChIKeyInChI1.03 XHSQDZXAVJRBMX-DDHJBXDOSA-N

Drug Info: DrugBank

DrugBank IDDB08473 
NameDichlororibofuranosylbenzimidazole
Groups experimental
Synonyms
  • 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole
  • Dichlororibofuranosylbenzimidazole
Categories
  • Enzyme Inhibitors
  • Nucleic Acid Synthesis Inhibitors
  • Nucleic Acids, Nucleotides, and Nucleosides
  • Nucleosides
  • Ribonucleosides
CAS number53-85-0

Drug Targets

NameTarget SequencePharmacological ActionActions
Casein kinase II subunit alphaMSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKY...unknowninhibitor
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
PubChem 5894
ChEMBL CHEMBL375530