Molecule Details
InChIKeyFTBMREIZHCLTPN-XMMPIXPASA-N
Compound Name5-[[5-[5-(1-azabicyclo[2.2.2]octan-4-yl)-1,3,4-oxadiazol-2-yl]-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
Canonical SMILESCC1(C)OC(=O)c2ccc(Nc3ncc(-c4nnc(C56CCN(CC5)CC6)o4)c(N[C@H](CO)c4ccccc4)n3)cc21
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.64
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q92918 MAP4K1 Homo sapiens Human PF00780 PF00069 6.9 IC50 ChEMBL;BindingDB
Q8IVH8 MAP4K3 Homo sapiens Human PF00780 PF00069 6.5 IC50 ChEMBL;BindingDB
Q9NWZ3 IRAK4 Homo sapiens Human PF07714 6.4 IC50 ChEMBL;BindingDB