Molecule Details
| InChIKey | LSQZJLSUYDQPKJ-NJBDSQKTSA-N |
|---|---|
| Compound Name | Amoxicillin |
| Canonical SMILES | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.92 |
| Source | BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01060 |
|---|---|
| Drug Name | Amoxicillin |
| CAS Number | 26787-78-0 |
| Groups | approved investigational vet_approved |
| ATC Codes | A02BD12 J01CR50 A02BD14 A02BD04 A02BD07 A02BD13 A02BD10 A02BD05 A02BD03 A02BD01 A02BD15 A02BD06 J01CA04 A02BD17 A02BD16 A02BD11 |
| Description | Amoxicillin, or BRL-2333, is a penicillin G derivative first described in the literature in 1972.[A190648] Amoxicillin has similar activity to [penicillin] and [ampicillin], but leads to higher serum concentrations than ampicillin.[A190648] Amoxicillin was granted FDA approval on 18 January 1974.[L1... |
Categories: Alimentary Tract and Metabolism Amides Aminopenicillins Anti-Bacterial Agents Anti-Infective Agents Antibacterials for Systemic Use Antiinfectives for Systemic Use Beta-Lactam Antibacterials Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (weak) Cytochrome P-450 Enzyme Inhibitors Drugs for Acid Related Disorders Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord) Drugs that are Mainly Renally Excreted Heterocyclic Compounds, Fused-Ring Lactams OAT1/SLC22A6 inhibitors Penicillin G Penicillins Penicillins With Extended Spectrum Sulfur Compounds beta-Lactams
Cross-references: BindingDB: 50350464 ChEBI: 2676 CHEMBL1082 ChemSpider: 31006 Drugs Product Database (DPD): 11101 C06827 D07452 PharmGKB: PA448406 PubChem:33613 PubChem:46507578 RxCUI: 1297882 Therapeutic Targets Database: DAP000443 Wikipedia: Amoxicillin ZINC: ZINC000003830215
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14677 | pbpX | Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | Pathogen | PF03793 PF03717 PF00905 | 7.1 | IC50 | BindingDB |
| Q04707 | ponA | Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | Pathogen | PF00912 PF00905 | 6.8 | IC50 | BindingDB |
| P0A3M5 | penA | Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | Pathogen | PF03717 PF00905 | 6.8 | IC50 | BindingDB |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P04190 | blm | Metallo-beta-lactamase type 2 | substrate | enzymes |
| Q8L103 | Q8L103 | Penicillin binding protein | inhibitor | targets |
| P46059 | SLC15A1 | Solute carrier family 15 member 1 | inhibitor | transporters |
| Q16348 | Q16348 | Solute carrier family 15 member 2 | inhibitor | transporters |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | inhibitor | transporters |