Molecule Details
InChIKeyVUMXOSQTUDDRDH-UHFFFAOYSA-N
Compound Name8-[4-[3-(4-Hydroxyphenyl)-6-naphthalen-2-yloxysulfonyl-7-oxabicyclo[2.2.1]hept-2-en-2-yl]anilino]-8-oxooctanoic acid
Canonical SMILESO=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccc5ccccc5c4)C2O3)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.73
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q92731 ESR2 Homo sapiens Human PF12497 PF00104 PF00105 7.2 Ki ChEMBL;BindingDB
Q13547 HDAC1 Homo sapiens Human PF00850 6.5 IC50 ChEMBL;BindingDB
P03372 ESR1 Homo sapiens Human PF12743 PF00104 PF02159 PF00105 6.4 IC50 ChEMBL;BindingDB