Molecule Details
| InChIKey | GINLASFWCXLJSB-GFCCVEGCSA-N |
|---|---|
| Compound Name | 1-N-[(3R)-pyrrolidin-3-yl]-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide |
| Canonical SMILES | NS(=O)(=O)c1c(S(=O)(=O)N[C@@H]2CCNC2)ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.79 |
| 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 | 10.4 | 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 | 9.2 | IC50 | BindingDB |