Molecule Details
InChIKeyFKFLKOYVFNNGEX-WXIAYYLYSA-N
Compound Name(1R,14S,20R,23S)-23-[5-(pyridin-2-yldisulfanyl)pentyl]-16,22,25,27-tetrazatricyclo[12.11.2.016,20]heptacosane-15,21,24,26-tetrone
Canonical SMILESO=C1N[C@@H]2CCCCCCCCCCCC[C@H](NC2=O)C(=O)N2CCC[C@@H]2C(=O)N[C@H]1CCCCCSSc1ccccn1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.58
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P56524 HDAC4 Homo sapiens Human PF12203 PF00850 7.7 IC50 ChEMBL;BindingDB
Q02161 RHD Homo sapiens Human PF00909 7.6 pIC50 TTD_MultiTarget
Q13547 HDAC1 Homo sapiens Human PF00850 7.5 pIC50 TTD_MultiTarget