Molecule Details
InChIKeyXQPDEMOFEZWKBH-UHFFFAOYSA-N
Compound Namebenzyl N-[1-oxo-7-[[7-oxo-6-(phenylmethoxycarbonylamino)-7-(quinolin-8-ylamino)heptyl]disulfanyl]-1-(quinolin-8-ylamino)heptan-2-yl]carbamate
Canonical SMILESO=C(NC(CCCCCSSCCCCCC(NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12)C(=O)Nc1cccc2cccnc12)OCc1ccccc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.23
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P56524 HDAC4 Homo sapiens Human PF12203 PF00850 8.5 IC50 ChEMBL;BindingDB
Q9UBN7 HDAC6 Homo sapiens Human PF00850 PF02148 8.1 IC50 ChEMBL;BindingDB
Q13547 HDAC1 Homo sapiens Human PF00850 8.1 IC50 ChEMBL;BindingDB