Molecule Details
InChIKeyWJKBTCSWQYZOOK-NNZQMTATSA-N
Compound Name(3S,6S,9S,12R)-3,6-dimethyl-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Canonical SMILESC[C@@H]1NC(=O)[C@H](CCCCCC(=O)C2CO2)NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC1=O
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL8.24
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P56524 HDAC4 Homo sapiens Human PF12203 PF00850 9.5 IC50 ChEMBL;BindingDB
Q13547 HDAC1 Homo sapiens Human PF00850 7.0 pIC50 TTD_MultiTarget