Molecule Details
InChIKeyCTTVVMXBXWWNQS-UHFFFAOYSA-N
Compound Name4-Nitro-9-(4-propan-2-ylphenyl)-7lambda6,9lambda4-dithia-8-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene 7,7-dioxide
Canonical SMILESCC(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 pChEMBL6.24
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P09917 ALOX5 Homo sapiens Human PF00305 PF01477 6.4 IC50 ChEMBL;BindingDB
P23219 PTGS1 Homo sapiens Human PF03098 6.1 pIC50 TTD_MultiTarget
P35354 PTGS2 Homo sapiens Human PF03098 6.1 IC50 ChEMBL;BindingDB