Chemical Component Summary

Name(2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE
SynonymsFIDARESTAT
Identifiers(2S,4S)-6-fluoro-2',5'-dioxo-spiro[chroman-4,4'-imidazolidine]-2-carboxamide
FormulaC12 H10 F N3 O4
Molecular Weight279.224
TypeNON-POLYMER
Isomeric SMILESc1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3
InChIInChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1
InChIKeyWAAPEIZFCHNLKK-UFBFGSQYSA-N

Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count2
Bond Count32
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB02021 
NameFidarestat
Groups experimental
Synonyms
  • Fidarestat
  • (S,S)-fidarestat
  • Aldos
Categories
  • Aldehyde Reductase, antagonists & inhibitors
  • Imidazoles
CAS number136087-85-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Aldo-keto reductase family 1 member B10MATFVELSTKAKMPIVGLGTWKSPLGKVKEAVKVAIDAGYRHIDCAYVYQ...unknowninhibitor
Aldose reductaseMASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQ...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
Pharos CHEMBL84446
PubChem 160024
ChEMBL CHEMBL84446
CCDC/CSD RUPSUR
COD 4104792