Molecule Details
| InChIKey | NDCUAPJVLWFHHB-UHNVWZDZSA-N |
|---|---|
| Compound Name | Avibactam |
| Canonical SMILES | NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.6 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB09060 |
|---|---|
| Drug Name | Avibactam |
| CAS Number | 1192500-31-4 |
| Groups | approved investigational |
| ATC Codes | nan |
| Description | Avibactam is a non-β-lactam β-lactamase inhibitor that is available in combination with ceftazidime (Avycaz). This combination was approved by the FDA on February 25, 2015 for the treatment of complicated intra-abdominal infections in combination with metronidazole, and the treatment of complicated ... |
Categories: Anti-Infective Agents Aza Compounds Enzyme Inhibitors OAT3/SLC22A8 Substrates beta-Lactamase Inhibitors
Cross-references: BindingDB: 50339145 ChEBI: 85984 CHEMBL1689063 ChemSpider: 8010770 PDB: FYG PubChem:9835049 PubChem:310264997 RxCUI: 1603834 Wikipedia: Avibactam ZINC: ZINC000009302239
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P62593 | bla | Escherichia coli | Pathogen | PF13354 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q9L5C7 | blaCTX-M-14 | Escherichia coli | Pathogen | PF13354 | 8.5 | IC50 | ChEMBL |
| Q4GY26 | blaTEM-1 | Escherichia coli | Pathogen | PF13354 | 8.2 | IC50 | ChEMBL |
| A8DS27 | blaKPC-2 | Escherichia coli | Pathogen | PF13354 | 8.0 | Ki | ChEMBL |
| P05364 | ampC | Enterobacter cloacae | Pathogen | PF00144 | 7.0 | IC50 | ChEMBL;BindingDB |
| P13661 | OXA-1 | Escherichia coli | Pathogen | PF00905 | 6.9 | IC50 | ChEMBL |
| P14488 | Bacillus cereus | Pathogen | PF00753 | 6.8 | IC50 | ChEMBL | |
| Q9F663 | KPC-2 | Klebsiella pneumoniae | Pathogen | PF13354 | 6.7 | IC50 | ChEMBL |
DrugBank Target Actions (12)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| A0A023W3H0 | A0A023W3H0 | OXA-48 carbapenemase | inhibitor | targets |
| P05364 | ampC | Beta-lactamase | inhibitor | targets |
| P0A9Z7 | P0A9Z7 | Beta-lactamase SHV-2 | inhibitor | targets |
| P0AD63 | bla | Beta-lactamase SHV-1 | inhibitor | targets |
| P0AD64 | bla | Beta-lactamase SHV-1 | inhibitor | targets |
| P37321 | P37321 | Extended-spectrum beta-lactamase PER-1 | inhibitor | targets |
| P62593 | bla | Beta-lactamase TEM | inhibitor | targets |
| Q939N4 | Q939N4 | Beta-lactamase CTX-M | inhibitor | targets |
| Q9EXV5 | blaUOE-1 | Beta-lactamase | inhibitor | targets |
| Q9F663 | KPC-2 | Carbapenem-hydrolyzing beta-lactamase KPC-2 | inhibitor | targets |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | substrate | transporters |
| Q92887 | ABCC2 | ATP-binding cassette sub-family C member 2 | substrate | transporters |