Molecule Details
| InChIKey | VUYNFVVRABLCCA-SNVBAGLBSA-N |
|---|---|
| Compound Name | 4-(2-amino-4-pyridinyl)-1-N-[(3R)-pyrrolidin-3-yl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide |
| Canonical SMILES | Nc1cc(-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 | Cross-Family |
| Avg pChEMBL | 9.89 |
| 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 | 10.1 | IC50 | BindingDB |
| Q5GN09 | vim-1 | Klebsiella pneumoniae | Pathogen | PF00753 | 10.1 | IC50 | BindingDB |
| C7C422 | blaNDM-1 | Klebsiella pneumoniae | Pathogen | PF00753 | 10.0 | IC50 | ChEMBL;BindingDB |
| P52699 | Serratia marcescens | Pathogen | PF00753 | 9.3 | IC50 | BindingDB |