Chemical Component Summary

Name3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
SynonymsPropentofylline
Identifiers3-methyl-1-(5-oxohexyl)-7-propyl-purine-2,6-dione
FormulaC15 H22 N4 O3
Molecular Weight306.36
TypeNON-POLYMER
Isomeric SMILESCCCn1cnc2c1C(=O)N(C(=O)N2C)CCCCC(=O)C
InChIInChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3
InChIKeyRBQOQRRFDPXAGN-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count45
Aromatic Bond Count5

Drug Info: DrugBank

DrugBank IDDB06479 
NamePropentofylline
Groups investigational
SynonymsPropentofylline
IndicationInvestigated for use/treatment in alzheimer's disease.
Categories
  • Alkaloids
  • Anti-Ulcer Agents
  • Central Nervous System Agents
  • Compounds used in a research, industrial, or household setting
  • Cytochrome P-450 CYP1A2 Substrates
ATC-CodeN06BC02
CAS number55242-55-2

Drug Targets

NameTarget SequencePharmacological ActionActions
cAMP-specific 3',5'-cyclic phosphodiesterase 4AMEPPTVPSERSLSLSLPGPREGQATLKPPPQHLWRQPRTPIRIQQRGYSD...unknown
Cytochrome P450 1A2MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPL...unknownsubstrate
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 4938
ChEMBL CHEMBL1079905
ChEBI CHEBI:32061