Molecule Details
InChIKeyWEEBCOREBZDJSB-WGNJMZQMSA-N
Compound Name5-[(2S,6R)-2-[[6-(3-aminoazetidin-1-yl)spiro[1H-2-benzofuran-3,3'-azetidine]-1'-yl]methyl]-6-methylmorpholin-4-yl]-2-deuterioquinoline-8-carbonitrile
Canonical SMILES[2H]c1ccc2c(N3C[C@H](CN4CC5(C4)OCc4cc(N6CC(N)C6)ccc45)O[C@H](C)C3)ccc(C#N)c2n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.84
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q9NYK1 TLR7 Homo sapiens Human PF13855 PF01582 8.5 IC50 ChEMBL;BindingDB
Q9NR97 TLR8 Homo sapiens Human PF13855 PF01582 7.8 IC50 ChEMBL;BindingDB
Q9NR96 TLR9 Homo sapiens Human PF18837 PF13516 PF13855 PF01582 7.2 IC50 ChEMBL;BindingDB