Molecule Details
| InChIKey | HZZVJAQRINQKSD-PBFISZAISA-N |
|---|---|
| Compound Name | Clavulanic Acid |
| Canonical SMILES | O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 13 |
| Pfam Stratification | Unknown |
| Avg pChEMBL | 7.51 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00766 |
|---|---|
| Drug Name | Clavulanic acid |
| CAS Number | 58001-44-8 |
| Groups | approved investigational vet_approved |
| ATC Codes | nan |
| Description | Clavulanic acid is a beta-lactamase inhibitor that is frequently combined with [Amoxicillin] or [Ticarcillin] to fight antibiotic resistance by preventing their degradation by beta-lactamase enzymes, broadening their spectrum of susceptible bacterial infections.[T665] Clavulanic acid is derived from... |
Categories: Anti-Bacterial Agents Anti-Infective Agents Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Lactams beta-Lactamase Inhibitors beta-Lactams
Cross-references: BindingDB: 50021959 ChEBI: 48947 CHEMBL777 ChemSpider: 4444466 Drugs Product Database (DPD): 11247 C06662 PDB: J01 PharmGKB: PA164742987 PubChem:5280980 PubChem:46508845 RxCUI: 21216 Therapeutic Targets Database: DAP000948 Wikipedia: Clavulanic_acid ZINC: ZINC000003830569
Target Activities (13)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 9.7 | IC50 | BindingDB |
| Q9EXV5 | blaUOE-1 | Escherichia coli | Pathogen | PF13354 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q2XPY6 | blaCTX-M-53 | Salmonella enterica subsp. enterica serovar Westhampton | Pathogen | PF13354 | 8.0 | IC50 | ChEMBL;BindingDB |
| P00811 | ampC | Escherichia coli (strain K12) | Pathogen | PF00144 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q4TVR4 | blaSHV-55 | Klebsiella pneumoniae | Pathogen | PF13354 | 7.7 | IC50 | ChEMBL;BindingDB |
| P0AD63 | bla | Escherichia coli | Pathogen | PF13354 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q8RT60 | bla OXY | Klebsiella oxytoca | Pathogen | PF13354 | 7.5 | IC50 | BindingDB |
| A1E3K9 | blaSCO-1 | Escherichia coli | Pathogen | PF13354 | 7.2 | IC50 | ChEMBL;BindingDB |
| P00807 | blaZ | Staphylococcus aureus | Pathogen | PF13354 PF08139 | 7.1 | IC50 | ChEMBL;BindingDB |
| D1MIX9 | blaGES-13 | Pseudomonas aeruginosa | Pathogen | PF13354 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q3SAW3 | bla(BEL1) | Pseudomonas aeruginosa | Pathogen | PF13354 | 7.0 | IC50 | ChEMBL;BindingDB |
| P25910 | ccrA | Bacteroides fragilis | Pathogen | — | 6.6 | IC50 | BindingDB |
| P13661 | OXA-1 | Escherichia coli | Pathogen | PF00905 | 6.4 | IC50 | BindingDB |