Molecule Details
| InChIKey | VWGVZRSKDSKOCX-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-[5-[2-(Ethylcarbamoylamino)-7-(2-pyridyl)-1,3-benzothiazol-5-yl]pyrimidin-2-yl]-4-methyl-piperidine-4-carboxylic acid |
| Canonical SMILES | CCNC(=O)Nc1nc2cc(-c3cnc(N4CCC(C)(C(=O)O)CC4)nc3)cc(-c3ccccn3)c2s1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.2 |
| 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 | 8.4 | IC50 | ChEMBL;BindingDB |
| P0AES6 | gyrB | Escherichia coli (strain K12) | Pathogen | PF00204 PF00986 PF21249 PF18053 PF02518 PF01751 | 8.4 | IC50 | ChEMBL |
| Q2FYS5 | parE | Staphylococcus aureus (strain NCTC 8325 / PS 47) | Pathogen | PF00204 PF00986 PF02518 PF01751 | 7.8 | IC50 | BindingDB |