Molecule Details
| InChIKey | HMLMVOVUUWOJIT-UHFFFAOYSA-N |
|---|---|
| Compound Name | US10221163, Example 44 |
| Canonical SMILES | Nc1nc2c(-c3ccc(S(=O)(=O)N4CC[S+]([O-])CC4)c(S(N)(=O)=O)c3-c3nnn[nH]3)cccc2s1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.77 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| C7C422 | blaNDM-1 | Klebsiella pneumoniae | Pathogen | PF00753 | 9.1 | IC50 | ChEMBL;BindingDB |
| Q2QC95 | blaoxa-10 | Klebsiella pneumoniae | Pathogen | PF00905 | 8.7 | IC50 | BindingDB |
| Q5GN09 | vim-1 | Klebsiella pneumoniae | Pathogen | PF00753 | 8.7 | IC50 | BindingDB |
| P52699 | Serratia marcescens | Pathogen | PF00753 | 8.7 | IC50 | BindingDB |