Molecule Details
| InChIKey | ASLMIDYEWPPSGH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea |
| Canonical SMILES | CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3ncccc3F)c2[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.03 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P0AES4 | gyrA | Escherichia coli (strain K12) | Pathogen | PF03989 PF00521 | 8.2 | Ki | ChEMBL;BindingDB |
| P0AES6 | gyrB | Escherichia coli (strain K12) | Pathogen | PF00204 PF00986 PF21249 PF18053 PF02518 PF01751 | 8.2 | Ki | ChEMBL |
| P0AFI2 | parC | Escherichia coli (strain K12) | Pathogen | PF03989 PF00521 | 7.6 | Ki | BindingDB |