Molecule Details
| InChIKey | IOOWNWLVCOUUEX-WPRPVWTQSA-N |
|---|---|
| Canonical SMILES | O=C(O)C[C@@H]1CC[C@H](NC(=O)Cc2cccs2)B(O)O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.25 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12107 |
|---|---|
| Drug Name | Vaborbactam |
| CAS Number | 1360457-46-0 |
| Groups | approved investigational |
| ATC Codes | J01DH52 |
| Description | Vaborbactam is a β-lactamase inhibitor based on a cyclic boronic acid pharmacophore.[A32053] It has been used in trials investigating the treatment of bacterial infections in subjects with varying degrees of renal insufficiency. In August 2017, a combination antibacterial therapy under the market na... |
Categories: Acids Acids, Noncarboxylic Anti-Infective Agents Antibacterials for Systemic Use Antiinfectives for Systemic Use Boron Compounds Drugs that are Mainly Renally Excreted Enzyme Inhibitors beta-Lactamase Inhibitors
Cross-references: BindingDB: 50089084 CHEMBL3317857 ChemSpider: 35035409 Drugs Product Database (DPD): 24047 PDB: 4D6 PubChem:56649692 PubChem:347828408 RxCUI: 1945213 Wikipedia: Vaborbactam
Target Activities (2)
DrugBank Target Actions (10)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| A0A068JFB7 | A0A068JFB7 | Beta-lactamase SHV | inhibitor | targets |
| P00807 | blaZ | Beta-lactamase | inhibitor | targets |
| P05364 | ampC | Beta-lactamase | inhibitor | targets |
| P0AD64 | bla | Beta-lactamase SHV-1 | inhibitor | targets |
| P62593 | bla | Beta-lactamase TEM | inhibitor | targets |
| Q53IN1 | Q53IN1 | Beta-lactamase | inhibitor | targets |
| Q939N4 | Q939N4 | Beta-lactamase CTX-M | inhibitor | targets |
| Q93LQ9 | KPC-2 | Beta-lactamase | inhibitor | targets |
| Q9F663 | KPC-2 | Carbapenem-hydrolyzing beta-lactamase KPC-2 | inhibitor | targets |
| Q9X757 | Q9X757 | Beta-lactamase | inhibitor | targets |