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CHEBI:747579 - MRS5698

Default Structure
ChEBI IDCHEBI:747579
ChEBI NameMRS5698
Stars
DefinitionMRS5698 is a selective Gi protein-coupled A3 adenosine receptor (A3AR) agonist, with Kis of approximately 3 nM for human and mouse A3AR, respectively. MRS5698 can be used for the research of pain and psoriasis.
Last Modified16 April 2026
Submittercyan
DownloadsMolfile
FormulaC28H23ClF2N6O3
Net Charge0
Average Mass564.980
Monoisotopic Mass564.14882
SMILES[H][C@]12C[C@@]1(C(=O)NC)[C@@H](O)[C@@H](O)[C@]2([H])n1cnc2c(NCc3cccc(Cl)c3)nc(C#Cc3ccc(F)c(F)c3)nc21
InChIInChI=1S/C28H23ClF2N6O3/c1-32-27(40)28-11-17(28)22(23(38)24(28)39)37-13-34-21-25(33-12-15-3-2-4-16(29)9-15)35-20(36-26(21)37)8-6-14-5-7-18(30)19(31)10-14/h2-5,7,9-10,13,17,22-24,38-39H,11-12H2,1H3,(H,32,40)(H,33,35,36)/t17-,22-,23+,24+,28+/m1/s1
InChIKeyLYLLLJJYBWLGHW-CIZVZKTGSA-N
ChEBI Ontology
Outgoing Relation(s)
MRS5698 (CHEBI:747579) is a organic molecular entity (CHEBI:50860)
Registry NumbersSources
CAS:1377273-00-1CAS