Molecule Details
| InChIKey | ZKKACLLQVNCVQU-VYBYYTRPSA-M |
|---|---|
| Compound Name | (5R,6Z)-6-{[5-(4-methoxybenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)]methylene}-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt |
| Canonical SMILES | COc1ccc(CN2CCc3sc(/C=C4/C(=O)N5C(C(=O)[O-])=CS[C@H]45)cc3C2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Unknown |
| Avg pChEMBL | 7.8 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P62593 | bla | Escherichia coli | Pathogen | PF13354 | 8.7 | IC50 | ChEMBL;BindingDB |
| P05364 | ampC | Enterobacter cloacae | Pathogen | PF00144 | 7.8 | IC50 | ChEMBL;BindingDB |
| P52663 | nmcA | Enterobacter cloacae | Pathogen | PF13354 | 7.6 | IC50 | ChEMBL;BindingDB |
| P25910 | ccrA | Bacteroides fragilis | Pathogen | — | 7.1 | IC50 | ChEMBL;BindingDB |