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CHEBI:747761 - GSK-J4 hydrochloride

Default Structure
ChEBI IDCHEBI:747761
ChEBI NameGSK-J4 hydrochloride
Stars
DefinitionAn epigenetic modifier and selective inhibitor of the Jumonji domain-containing protein D3 (JMJD3) histone demethylase (IC50 = 9 µM). JMJD3 demethylates the tri-methylated lysine 27 on histone H3 (H3K27me3) to activate transcription.
Last Modified16 May 2026
Submitterjychien
DownloadsMolfile
FormulaHCl.C24H27N5O2
Net Charge0
Average Mass453.974
Monoisotopic Mass453.19315
SMILES[H]Cl.[H]c1nc(-c2nc(N([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])C([H])([H])[H])c([H])c(N3C([H])([H])C([H])([H])c4c([H])c([H])c([H])c([H])c4C([H])([H])C3([H])[H])n2)c([H])c([H])c1[H]
InChIInChI=1S/C24H27N5O2.ClH/c1-2-31-23(30)10-14-26-21-17-22(28-24(27-21)20-9-5-6-13-25-20)29-15-11-18-7-3-4-8-19(18)12-16-29;/h3-9,13,17H,2,10-12,14-16H2,1H3,(H,26,27,28);1H
InChIKeyTYXWLTBYINKVNT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
GSK-J4 hydrochloride (CHEBI:747761) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
ethyl 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoate;hydrochloride
Synonyms  Source
Ethyl N-[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-beta-alaninate hydrochloridePubChem Compound
GSK J4 HClPubChem Compound
GSK-J4 HClPubChem Compound
GSK-J4 (hydrochloride)PubChem Compound
Registry NumbersSources
CAS:1797983-09-5CAS