Molecule Details
| InChIKey | ZCCUWMICIWSJIX-NQJJCJBVSA-N |
|---|---|
| Compound Name | Pyridinium, 4-(2-(((6R,7R)-2-carboxy-7-(((2Z)-2-(ethoxyimino)-2-(5-(phosphonoamino)-1,2,4-thiadiazol-3-yl)acetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)thio)-4-thiazolyl)-1-methyl-, inner salt |
| Canonical SMILES | CCO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.75 |
| Source | BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06590 |
|---|---|
| Drug Name | Ceftaroline fosamil |
| CAS Number | 229016-73-3 |
| Groups | approved investigational |
| ATC Codes | J01DI02 |
| Description | Ceftaroline fosamil is a cephalosporin antibacterial indicated for the treatment of the following infections caused by designated susceptible bacteria: Acute bacterial skin and skin structure infections. Community-acquired bacterial pneumonia. |
Categories: Amides Anti-Bacterial Agents Anti-Infective Agents Antibacterials for Systemic Use Antiinfectives for Systemic Use Cephalosporins Heterocyclic Compounds, Fused-Ring Lactams Nephrotoxic agents Sulfur Compounds Thiazines beta Lactam Antibiotics beta-Lactams
Cross-references: BindingDB: 50482776 ChEBI: 70718 CHEMBL501122 ChemSpider: 8028692 D08884 PubChem:9852981 PubChem:175427075 RxCUI: 1040004 Wikipedia: Ceftaroline_fosamil
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q53729 | pbp2 | Staphylococcus aureus | Pathogen | PF00912 PF00905 | 7.3 | IC50 | BindingDB |
| Q9XDB3 | pbpF | Staphylococcus aureus | Pathogen | PF03717 PF00905 | 7.2 | IC50 | BindingDB |
| P14677 | pbpX | Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | Pathogen | PF03793 PF03717 PF00905 | 6.8 | IC50 | BindingDB |
| Q53725 | pbpA | Staphylococcus aureus | Pathogen | PF03793 PF03717 PF00905 | 6.8 | IC50 | BindingDB |
| Q7DHH4 | mecA | Staphylococcus aureus | Pathogen | PF05223 PF03717 PF00905 | 6.5 | IC50 | BindingDB |
| Q04707 | ponA | Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | Pathogen | PF00912 PF00905 | 6.4 | IC50 | BindingDB |
| P0A3M5 | penA | Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | Pathogen | PF03717 PF00905 | 6.1 | IC50 | BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P0AEB2 | P0AEB2 | Penicillin-binding protein | inhibitor | targets |