Molecule Details
| InChIKey | TVOOVNFXLKCVSE-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-N-(1,3-diaminopropan-2-yl)-3-(2H-tetrazol-5-yl)-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzene-1,2-disulfonamide |
| Canonical SMILES | NCC(CN)NS(=O)(=O)c1ccc(-c2cccc(-c3nc[nH]n3)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.96 |
| 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 | 9.9 | IC50 | BindingDB |
| Q5GN09 | vim-1 | Klebsiella pneumoniae | Pathogen | PF00753 | 9.9 | IC50 | BindingDB |
| P52699 | Serratia marcescens | Pathogen | PF00753 | 9.8 | IC50 | BindingDB |