Molecule Details
| InChIKey | PQRRTYZMKUUTSQ-NWDGAFQWSA-N |
|---|---|
| Compound Name | US10221163, Example 168 |
| Canonical SMILES | Nc1nc2c(-c3ccc(S(=O)(=O)N[C@H]4CNC[C@H]4O)c(S(N)(=O)=O)c3-c3nnn[nH]3)cccc2[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.78 |
| 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 | 10.3 | IC50 | ChEMBL;BindingDB |
| Q2QC95 | blaoxa-10 | Klebsiella pneumoniae | Pathogen | PF00905 | 9.8 | IC50 | BindingDB |
| Q5GN09 | vim-1 | Klebsiella pneumoniae | Pathogen | PF00753 | 9.8 | IC50 | BindingDB |
| P52699 | Serratia marcescens | Pathogen | PF00753 | 9.3 | IC50 | BindingDB |