Chemical Component Summary

NameCYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR
Synonyms(3S,8AR)-3-(1H-IMIDAZOL-5-YLMETHYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE
Identifiers(3S,8aS)-3-(3H-imidazol-4-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione
FormulaC11 H14 N4 O2
Molecular Weight234.254
TypeNON-POLYMER
Isomeric SMILESc1c([nH]cn1)C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2
InChIInChI=1S/C11H14N4O2/c16-10-9-2-1-3-15(9)11(17)8(14-10)4-7-5-12-6-13-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,16)/t8-,9-/m0/s1
InChIKeyNAKUGCPAQTUSBE-IUCAKERBSA-N

Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count2
Bond Count33
Aromatic Bond Count5

Drug Info: DrugBank

DrugBank IDDB02414 
NameCyclo(his-pro)
Groups experimental
Synonyms
  • cyclo(L-His-L-Pro)
  • Histidyl-proline diketopiperazine
  • Histidyl-proline-diketopiperazine
  • cyclo(histidyl-prolyl)
  • (3S,8aS)-3-(1H-Imidazol-4-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Categories
  • Amino Acids, Peptides, and Proteins
  • Antioxidants
  • Biological Factors
  • Compounds used in a research, industrial, or household setting
  • Membrane Transport Modulators
CAS number53109-32-3

Drug Targets

NameTarget SequencePharmacological ActionActions
Chitinase BMSTRKAVIGYYFIPTNQINNYTETDTSVVPFPVSNITPAKAKQLTHINFS...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
PubChem 449094
ChEMBL CHEMBL188225
ChEBI CHEBI:90039