Molecule Details
| InChIKey | ITJYYTDFHUHVOA-QOROXLEMSA-M |
|---|---|
| Compound Name | Sodium; 3-((E)-2-cyano-vinyl)-5,5,8-trioxo-7-[1-pyridin-2-yl-meth-(Z)-ylidene]-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate |
| Canonical SMILES | N#C/C=C/C1=C(C(=O)[O-])N2C(=O)/C(=C/c3ccccn3)C2S(=O)(=O)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.45 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q59401 | Enterobacter cloacae | Pathogen | PF00144 | 8.0 | IC50 | ChEMBL;BindingDB | |
| Q6W9J1 | blaTEM-1 | Enterobacter cloacae | Pathogen | PF13354 | 7.8 | IC50 | ChEMBL |
| Q7B899 | bla | Klebsiella pneumoniae | Pathogen | PF13354 | 7.8 | IC50 | BindingDB |
| P00807 | blaZ | Staphylococcus aureus | Pathogen | PF13354 PF08139 | 6.1 | IC50 | ChEMBL;BindingDB |