Molecule Details
| InChIKey | JDHMUIHVNLHKNK-ZJUUUORDSA-N |
|---|---|
| Compound Name | US11207312, Example 196 |
| Canonical SMILES | NC(=O)[C@@H]1CN(c2ccc(S(=O)(=O)N[C@@H]3CCNC3)c(S(N)(=O)=O)c2-c2nn[nH]n2)CCN1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.94 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q5GN09 | vim-1 | Klebsiella pneumoniae | Pathogen | PF00753 | 9.4 | IC50 | BindingDB |
| C7C422 | blaNDM-1 | Klebsiella pneumoniae | Pathogen | PF00753 | 9.1 | IC50 | ChEMBL;BindingDB |
| Q3Y6Q3 | blaVIM-2 | Klebsiella pneumoniae | Pathogen | PF00753 | 8.8 | IC50 | BindingDB |
| Q79MP6 | blaIMP-1 | Pseudomonas aeruginosa | Pathogen | PF00753 | 8.5 | IC50 | ChEMBL;BindingDB |