Brief Information of the Compound and Protein
Compound Name
 Compound Info 
CHEMBL4565193
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Canonical SMILES
Clc1cc(N[C@H]2CC[C@@H](CC2)NC(=O)CN2CCOCC2)c2ncc(-c3ccc4[nH]ncc4c3)n2n1
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Compound Formula C25H29ClN8O2
Compound Structure
Protein Name
 Protein Info 
Serine/threonine-protein kinase/endoribonuclease IRE1
Protein Classification
Enzyme
Uniprot ID
O75460
Gene Name
ERN1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  3
1
IC50 = 680 nM
   TI
   LI
   LO
   TS
2
IC50 = 1120 nM
   TI
   LI
   LO
   TS
3
IC50 = 1880 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 27 nM
2 IC50 = 87 nM
3 IC50 = 240 nM