Molecule Details
| InChIKey | SMOBCLHAZXOKDQ-ZJUUUORDSA-N |
|---|---|
| Compound Name | Relebactam |
| Canonical SMILES | O=C(NC1CCNCC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.5 |
| Source | BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12377 |
|---|---|
| Drug Name | Relebactam |
| CAS Number | 1174018-99-5 |
| Groups | approved |
| ATC Codes | J01DH56 |
| Description | Relebactam is a diazabicyclooctane beta-lactamase inhibitor, similar in structure to [avibactam].[A181195,A181207] It includes a piperidine ring which reduces export from bacterial cells by producing a positive charge.[A181207] It is currently available in a combination product which includes [imipe... |
Categories: Antibacterials for Systemic Use Antiinfectives for Systemic Use Aza Compounds Enzyme Inhibitors MATE 1 Substrates MATE 2 Substrates MATE substrates OAT3/SLC22A8 Substrates beta-Lactamase Inhibitors
Cross-references: BindingDB: 1858 CHEMBL3112741 ChemSpider: 31137585 PubChem:44129647 PubChem:347828625 RxCUI: 2268500 Wikipedia: Relebactam ZINC: ZINC000043206319
Target Activities (2)
DrugBank Target Actions (10)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P00807 | blaZ | Beta-lactamase | inhibitor | targets |
| P05364 | ampC | Beta-lactamase | inhibitor | targets |
| P0AD63 | bla | Beta-lactamase SHV-1 | inhibitor | targets |
| P62593 | bla | Beta-lactamase TEM | inhibitor | targets |
| Q939N4 | Q939N4 | Beta-lactamase CTX-M | inhibitor | targets |
| Q93LQ9 | KPC-2 | Beta-lactamase | inhibitor | targets |
| Q86VL8 | SLC47A2 | Multidrug and toxin extrusion protein 2 | substrate | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | substrate | transporters |
| Q96FL8 | SLC47A1 | Multidrug and toxin extrusion protein 1 | substrate | transporters |
| Q9NSA0 | SLC22A11 | Solute carrier family 22 member 11 | substrate | transporters |