Molecule Details
InChIKeyHZYIMGKDYXEJDM-XMMPIXPASA-N
Compound Name5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
Canonical SMILESCN1CCC(c2nnc(-c3cnc(Nc4ccc5c(c4)C(C)(C)OC5=O)nc3N[C@H](CO)c3ccccc3)o2)CC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.89
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 7.2 IC50 ChEMBL;BindingDB
Q9NWZ3 IRAK4 Homo sapiens Human PF07714 6.8 IC50 ChEMBL;BindingDB
Q8IVH8 MAP4K3 Homo sapiens Human PF00780 PF00069 6.7 IC50 ChEMBL;BindingDB