Molecule Details
InChIKeyLMCHOJPQAZKODZ-UHFFFAOYSA-N
Compound Name9-(4-Tert-butylphenyl)-4-nitro-7lambda6,9lambda4-dithia-8-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene 7,7-dioxide
Canonical SMILESCC(C)(C)c1ccc(S2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.55
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P23219 PTGS1 Homo sapiens Human PF03098 6.6 pIC50 TTD_MultiTarget
P35354 PTGS2 Homo sapiens Human PF03098 6.6 IC50 ChEMBL;BindingDB
P09917 ALOX5 Homo sapiens Human PF00305 PF01477 6.5 IC50 ChEMBL;BindingDB