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CHEBI:233360 - ISOX DUAL

Default Structure
ChEBI IDCHEBI:233360
ChEBI NameISOX DUAL
Stars
DefinitionISOX DUAL is a dual CBP/p300 and BRD4 bromodomain inhibitor (IC50 values are 0.65 and 1.5 uM for CBP and BRD4 respectively). Downregulates IL-6, IL-1b and IFN-b in macrophages.
Submitterlbonaobra
DownloadsMolfile
FormulaC31H41N5O3
Net Charge0
Average Mass531.701
Monoisotopic Mass531.32094
SMILESCc1noc(C)c1-c1ccc2c(c1)nc(CCc1ccc(OCCCN(C)C)cc1)n2CCN1CCOCC1
InChIInChI=1S/C31H41N5O3/c1-23-31(24(2)39-33-23)26-9-12-29-28(22-26)32-30(36(29)16-15-35-17-20-37-21-18-35)13-8-25-6-10-27(11-7-25)38-19-5-14-34(3)4/h6-7,9-12,22H,5,8,13-21H2,1-4H3
InChIKeyHCDQWCDANVEBQR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ISOX DUAL (CHEBI:233360) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
1962928-22-8SUBMITTER
[3-[4-[2-[5-(Dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-yl]ethyl]phenoxy]propyl]dimethylamineSUBMITTER
Registry NumbersSources
CAS:1962928-22-8SUBMITTER