Molecule Details
InChIKeyHFKRWXOBVDJOSJ-XIFFEERXSA-N
Compound NameUS10221163, Example 83
Canonical SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(S(=O)(=O)N[C@H](CO)CNC(=O)OCc3ccccc3)ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL9.86
SourceBindingDB;ChEMBL
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 ChEMBL;BindingDB
Q5GN09 vim-1 Klebsiella pneumoniae Pathogen PF00753 9.7 IC50 BindingDB
P52699 Serratia marcescens Pathogen PF00753 9.6 IC50 BindingDB