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CHEBI:747297 - Compound 1

Default Structure
ChEBI IDCHEBI:747297
ChEBI NameCompound 1
Stars
DefinitionTBK1/IKKε-IN-5 is an orally active, potent, and selective dual inhibitor of TANK-binding kinase 1 (TBK1) and IκB kinase-ε (IKKε/IKK-i), with IC 50 values of 1.0 nM and 5.6 nM, respectively. It is primarily utilized in cancer research, demonstrating potential in combination with anti-PD-L1 to enhance immune responses and induce memory
Last Modified2 February 2026
Submittercyan
DownloadsMolfile
FormulaC28H31N7O3
Net Charge0
Average Mass513.602
Monoisotopic Mass513.24884
SMILESN#Cc1cc(-c2ncnc(Nc3ccc(N4CCN(C5COC5)CC4)cc3)n2)ccc1OC1CCOCC1
InChIInChI=1S/C28H31N7O3/c29-16-21-15-20(1-6-26(21)38-25-7-13-36-14-8-25)27-30-19-31-28(33-27)32-22-2-4-23(5-3-22)34-9-11-35(12-10-34)24-17-37-18-24/h1-6,15,19,24-25H,7-14,17-18H2,(H,30,31,32,33)
InChIKeyQYQFLAQHGHBIFA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Compound 1 (CHEBI:747297) is a organic molecular entity (CHEBI:50860)
Registry NumbersSources
CAS:1893397-65-3CAS