Molecule Details
InChIKeyIKICLORDJDWQQL-UHFFFAOYSA-N
Compound Name1-(7-Tert-butyl-3,3-dimethyl-2,3-dihydrobenzofuran-5-yl)butan-1-one
Canonical SMILESCCCC(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.02
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P23219 PTGS1 Homo sapiens Human PF03098 7.0 IC50 ChEMBL;BindingDB
P35354 PTGS2 Homo sapiens Human PF03098 7.0 IC50 ChEMBL;BindingDB