Molecule Details
| InChIKey | FXVJVTDGWQCYOQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 7-(3-(aminomethyl)phenyl)-9-cyclopropyl-6-fluoroisothiazolo[5,4-b]quinoline-3,4(2H,9H)-dione |
| Canonical SMILES | NCc1cccc(-c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.9 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P0AES4 | gyrA | Escherichia coli (strain K12) | Pathogen | PF03989 PF00521 | 7.0 | IC50 | ChEMBL;BindingDB |
| P0AES6 | gyrB | Escherichia coli (strain K12) | Pathogen | PF00204 PF00986 PF21249 PF18053 PF02518 PF01751 | 7.0 | IC50 | ChEMBL |
| P0C1U9 | parC | Staphylococcus aureus | Pathogen | PF03989 PF00521 | 6.7 | IC50 | ChEMBL;BindingDB |