Molecule Details
InChIKeyLMXUEHSXKXRDMD-UHFFFAOYSA-N
Compound Name9-(4-Ethylphenyl)-4-nitro-7lambda6,9lambda4-dithia-8-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene 7,7-dioxide
Canonical SMILESCCc1ccc(S2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL6.74
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P09917 ALOX5 Homo sapiens Human PF00305 PF01477 6.7 IC50 ChEMBL;BindingDB
P23219 PTGS1 Homo sapiens Human PF03098 6.7 pIC50 TTD_MultiTarget