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CHEBI:233647 - KRN2

Default Structure
ChEBI IDCHEBI:233647
ChEBI NameKRN2
Stars
DefinitionKRN2 is a selective inhibitor of nuclear factor of activated T cells (NFAT5), with an IC50 of 100 nM. KRN2 has potential to treat NFAT5-mediated Chronic Arthritis.
Submitterlbonaobra
DownloadsMolfile
FormulaC27H23FNO4.Cl
Net Charge0
Average Mass479.935
Monoisotopic Mass479.12996
SMILESCOc1ccc2c(Cc3ccccc3F)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-]
InChIInChI=1S/C27H23FNO4.ClH/c1-30-23-8-7-18-20(11-17-5-3-4-6-22(17)28)26-19-13-25-24(32-15-33-25)12-16(19)9-10-29(26)14-21(18)27(23)31-2;/h3-8,12-14H,9-11,15H2,1-2H3;1H/q+1;/p-1
InChIKeyRPHFGOXVJGNJJH-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
KRN2 (CHEBI:233647) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
13-[(2-Fluorophenyl)methyl]-5,6-dihydro-9,10-dimethoxy-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium chlorideSUBMITTER
248260-75-5SUBMITTER
Registry NumbersSources
CAS:248260-75-5SUBMITTER