Molecule Details
| InChIKey | IGKPYTKMVZOTKY-CYBMUJFWSA-N |
|---|---|
| Compound Name | 1-N-(2-aminoethyl)-4-[3-[[(2R)-3-amino-2-hydroxypropyl]amino]phenyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide |
| Canonical SMILES | NCCNS(=O)(=O)c1ccc(-c2cccc(NC[C@H](O)CN)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.0 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q2QC95 | blaoxa-10 | Klebsiella pneumoniae | Pathogen | PF00905 | 9.3 | IC50 | BindingDB |
| Q5GN09 | vim-1 | Klebsiella pneumoniae | Pathogen | PF00753 | 9.3 | IC50 | BindingDB |
| C7C422 | blaNDM-1 | Klebsiella pneumoniae | Pathogen | PF00753 | 8.9 | IC50 | ChEMBL;BindingDB |
| P52699 | Serratia marcescens | Pathogen | PF00753 | 8.4 | IC50 | BindingDB |