Molecule Details
InChIKeyRPHHNWILYSFFFK-WIYYLYMNSA-N
Compound Name5-[(4R,9aS)-4-methyl-8-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]quinoline-8-carbonitrile
Canonical SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H]2CN(c3cncc4c3CCNC4)CCN21
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.07
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 8.7 IC50 ChEMBL;BindingDB
Q9NYK1 TLR7 Homo sapiens Human PF13855 PF01582 8.2 IC50 ChEMBL;BindingDB
Q9NR96 TLR9 Homo sapiens Human PF18837 PF13516 PF13855 PF01582 7.3 IC50 ChEMBL;BindingDB