Molecule Details
InChIKeyXWGHGIMKSBEUMD-SLQHSKKLSA-N
Compound NameS-[(E)-4-[(8S,11S)-6,9,13-trioxo-8-propan-2-yl-10-oxa-3,17-dithia-7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(18),2(20),4,16(19)-tetraen-11-yl]but-3-enyl] octanethioate
Canonical SMILESCCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)-c2nc(cs2)C(=O)N[C@@H](C(C)C)C(=O)O1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL8.33
SourceTTD_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 8.3 pIC50 TTD_MultiTarget
Q13547 HDAC1 Homo sapiens Human PF00850 8.3 pIC50 TTD_MultiTarget