Molecule Details
InChIKeyBMXJAODDXNZAPY-WDYNHAJCSA-N
Compound Name(3S,6S)-6-(6-oxooctyl)-21-oxa-5,8,18,25,32-pentazahexacyclo[23.2.2.17,10.111,15.114,18.01,3]dotriaconta-7,9,11(31),12,14,16-hexaene-4,30-dione
Canonical SMILESCCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC23CCN(CCCOCCn2ccc4cc(ccc4c2=O)-c2cnc1[nH]2)CC3
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.74
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q13547 HDAC1 Homo sapiens Human PF00850 10.0 IC50 ChEMBL;BindingDB
O15379 HDAC3 Homo sapiens Human PF00850 8.6 IC50 ChEMBL;BindingDB
Q92769 HDAC2 Homo sapiens Human PF00850 7.7 IC50 ChEMBL;BindingDB