BBJ

N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide



Chemical Component Summary

NameN-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide
Identifiers~{N}-(3-bromanyl-4-fluoranyl-phenyl)-~{N}'-oxidanyl-4-[2-(sulfamoylamino)ethylamino]-1,2,5-oxadiazole-3-carboximidamide
FormulaC11 H13 Br F N7 O4 S
Molecular Weight438.233
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1N/C(=N\O)/c2c(non2)NCCNS(=O)(=O)N)Br)F
InChIInChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
InChIKeyFBKMWOJEPMPVTQ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count39
Aromatic Bond Count11

Drug Info: DrugBank

DrugBank IDDB11717 
NameEpacadostat
Groups investigational
DescriptionEpacadostat has been used in trials studying the treatment of HL, Melanoma, Glioblastoma, Mucosal Melanoma, and Ovarian Carcinoma, among others.
Synonyms
  • Epacadostatum
  • Epacadostat
Categories
  • Amides
  • Amines
  • Antineoplastic Agents
  • Antineoplastic and Immunomodulating Agents
  • Hydroxylamines
ATC-CodeL01XX58
CAS number1204669-58-8

Related Resource References

Resource NameReference
Pharos CHEMBL3545369
PubChem 135564890
ChEMBL CHEMBL3545369
CCDC/CSD EYALUO