Brief Information of the Compound and Protein
Compound Name
(5R,8S,11S)-5-methyl-8-propan-2-yl-11-[(E)-4-sulfanylbut-1-enyl]-10-oxa-3,17-dithia-7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(18),2(20),16(19)-triene-6,9,13-trione
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PubChem ID
CID: 24938735
SID: 53837012
Canonical SMILES
CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2
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Compound Formula C21H28N4O4S3
Compound Structure
Protein Name
Histone deacetylase 8
Protein Classification
Epigenetic regulator
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Eraser
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Histone deacetylase
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HDAC class I
Uniprot ID
Q9BY41
Gene Name
HDAC8
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 3.8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 102 nM
2 IC50 = 228.4 nM