Molecule Details
InChIKeyAUVSRVSKQPMECA-OKHWZEKLSA-N
Compound Name2-deuterio-5-[(2S,6R)-11-(2,6-diazaspiro[3.4]octan-6-yl)-6-methyl-4,7,10-triazatricyclo[7.4.0.02,7]trideca-1(9),10,12-trien-4-yl]quinoline-8-carbonitrile
Canonical SMILES[2H]c1ccc2c(N3C[C@@H](C)N4Cc5nc(N6CCC7(CNC7)C6)ccc5[C@H]4C3)ccc(C#N)c2n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.11
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q9NR97 TLR8 Homo sapiens Human PF13855 PF01582 9.2 IC50 ChEMBL;BindingDB
Q9NYK1 TLR7 Homo sapiens Human PF13855 PF01582 8.2 IC50 ChEMBL;BindingDB
Q9NR96 TLR9 Homo sapiens Human PF18837 PF13516 PF13855 PF01582 7.0 IC50 ChEMBL;BindingDB