Molecule Details
InChIKeyNIQGUVXUIJDHKR-UHFFFAOYSA-N
Compound Name8-[4-[3-(4-Hydroxyphenyl)-6-(2-methylphenoxy)sulfonyl-7-oxabicyclo[2.2.1]hept-2-en-2-yl]anilino]-8-oxooctanoic acid
Canonical SMILESCc1ccccc1OS(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.12
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 7.7 IC50 ChEMBL;BindingDB
Q92731 ESR2 Homo sapiens Human PF12497 PF00104 PF00105 7.0 Ki ChEMBL;BindingDB
P03372 ESR1 Homo sapiens Human PF12743 PF00104 PF02159 PF00105 6.7 IC50 ChEMBL;BindingDB