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CHEBI:747623 - 2-Cl-IB-MECA

Default Structure
ChEBI IDCHEBI:747623
ChEBI Name2-Cl-IB-MECA
Stars
Definition2-Cl-IB-MECA is a high affinity and extremely selective A3 adenosine receptor agonist (Ki = 0.33 nM). Displays 2500- and 1400-fold selectivity over A1 and A2A receptors respectively. Exhibits high selectivity over the Na+-independent adenosine transporter.
Last Modified5 May 2026
Submittercyan
DownloadsMolfile
FormulaC18H18ClIN6O4
Net Charge0
Average Mass544.737
Monoisotopic Mass544.01228
SMILESCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
InChIKeyIPSYPUKKXMNCNQ-PFHKOEEOSA-N
ChEBI Ontology
Outgoing Relation(s)
2-Cl-IB-MECA (CHEBI:747623) is a organic molecular entity (CHEBI:50860)
Registry NumbersSources
CAS:163042-96-4CAS
Citations