Molecule Details
InChIKeyYHZHZWCKPHXEEJ-DILYWTOHSA-N
Compound NameN-hydroxy-N''-{4-[(2R,4S,6R)-4-phenyl-6-[(pyridin-4-ylsulfanyl)methyl]-1,3-dioxan-2-yl]phenyl}octanediamide
Canonical SMILESO=C(CCCCCCC(=O)Nc1ccc([C@H]2O[C@@H](CSc3ccncc3)C[C@@H](c3ccccc3)O2)cc1)NO
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.22
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q9UBN7 HDAC6 Homo sapiens Human PF00850 PF02148 7.5 Ki ChEMBL;BindingDB
Q02161 RHD Homo sapiens Human PF00909 7.1 pIC50 TTD_MultiTarget
Q13547 HDAC1 Homo sapiens Human PF00850 7.1 pIC50 TTD_MultiTarget