Molecule Details
InChIKeyPTHMVPFHCBGCRP-QRPOTFRYSA-N
Compound NameUS10221163, Example 248
Canonical SMILESC[N+]1(CCN)CC[C@H](NS(=O)(=O)c2ccc(-c3cccc4[nH]c(N)nc34)c(-c3nn[nH]n3)c2S(N)(=O)=O)C1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL10.17
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 10.8 IC50 ChEMBL;BindingDB
Q5GN09 vim-1 Klebsiella pneumoniae Pathogen PF00753 10.2 IC50 BindingDB
P52699 Serratia marcescens Pathogen PF00753 9.5 IC50 BindingDB