Chemical Component Summary

NameN-ETHYL-5'-CARBOXAMIDO ADENOSINE
Identifiers(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-oxolane-2-carboxamide
FormulaC12 H16 N6 O4
Molecular Weight308.293
TypeNON-POLYMER
Isomeric SMILESCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
InChIInChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
InChIKeyJADDQZYHOWSFJD-FLNNQWSLSA-N

Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count4
Bond Count40
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB03719 
NameN-Ethyl-5'-Carboxamido Adenosine
Groups experimental
DescriptionA stable adenosine A1 and A2 receptor agonist. Experimentally, it inhibits cAMP and cGMP phosphodiesterase activity. [PubChem]
SynonymsN-Ethyl-5'-Carboxamido Adenosine

Drug Targets

NameTarget SequencePharmacological ActionActions
EndoplasminMRALWVLGLCCVLLTFGSVRADDEVDVDGTVEEDLGKSREGSRTDDEVVQ...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
Pharos CHEMBL464859
PubChem 448222
ChEMBL CHEMBL464859
ChEBI CHEBI:73284
CCDC/CSD KEMYEG01, KEMYEG