Molecule Details
InChIKeyIAQXVQLDCFUFMS-BCRBLDSWSA-N
Compound NameUS10544130, Example 82
Canonical SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(S(=O)(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3NC(=O)OC(C)(C)C)ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL9.9
SourceBindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
C7C422 blaNDM-1 Klebsiella pneumoniae Pathogen PF00753 10.3 IC50 BindingDB
Q2QC95 blaoxa-10 Klebsiella pneumoniae Pathogen PF00905 9.7 IC50 BindingDB
P52699 Serratia marcescens Pathogen PF00753 9.7 IC50 BindingDB