Molecule Details
InChIKeyUYGBNWBNXHNKCQ-JKZGQAOVSA-N
Compound Name[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] N-[[4-[1-[7-(hydroxyamino)-7-oxoheptyl]triazol-4-yl]phenyl]methyl]carbamate
Canonical SMILESC[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]2[C@@H](OC(=O)NCc2ccc(-c3cn(CCCCCCC(=O)NO)nn3)cc2)C1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL6.92
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
Q9UBN7 HDAC6 Homo sapiens Human PF00850 PF02148 7.5 IC50 ChEMBL;BindingDB
P04035 HMGCR Homo sapiens Human PF00368 PF12349 7.3 IC50 ChEMBL;BindingDB
Q13547 HDAC1 Homo sapiens Human PF00850 6.9 IC50 ChEMBL;BindingDB
Q92769 HDAC2 Homo sapiens Human PF00850 6.0 IC50 ChEMBL;BindingDB