Molecule Details
| InChIKey | JGSARLDLIJGVTE-MBNYWOFBSA-N |
|---|---|
| Compound Name | Penicillin G |
| Canonical SMILES | CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.21 |
| Source | BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01053 |
|---|---|
| Drug Name | Benzylpenicillin |
| CAS Number | 61-33-6 |
| Groups | approved investigational vet_approved |
| ATC Codes | J01CR50 J01CE01 S01AA14 J01CE08 |
| Description | Benzylpenicillin (Penicillin G) is narrow spectrum antibiotic used to treat infections caused by susceptible bacteria. It is a natural penicillin antibiotic that is administered intravenously or intramuscularly due to poor oral absorption. Penicillin G may also be used in some cases as prophylaxis a... |
Categories: Amides Anti-Bacterial Agents Anti-Infective Agents Antibacterials for Systemic Use Antiinfectives for Systemic Use Beta-Lactam Antibacterials Beta-Lactamase Sensitive Penicillins Heterocyclic Compounds, Fused-Ring Lactams Natural Penicillins OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors OAT3/SLC22A8 Substrates OATP1B1/SLCO1B1 Substrates OATP2B1/SLCO2B1 substrates Ophthalmologicals Penicillin G Penicillins Sensory Organs Sulfur Compounds beta-Lactams
Cross-references: BindingDB: 50022787 ChEBI: 18208 CHEMBL29 ChemSpider: 5693 Drugs Product Database (DPD): 8435 C05551 D02336 PDB: PNN PharmGKB: PA450842 PubChem:5904 PubChem:46506778 RxCUI: 7980 Therapeutic Targets Database: DNC001109 Wikipedia: Benzylpenicillin ZINC: ZINC000003871701
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q04707 | ponA | Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | Pathogen | PF00912 PF00905 | 7.6 | IC50 | BindingDB |
| P14677 | pbpX | Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | Pathogen | PF03793 PF03717 PF00905 | 7.5 | IC50 | BindingDB |
| P0A3M5 | penA | Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | Pathogen | PF03717 PF00905 | 6.5 | IC50 | BindingDB |
DrugBank Target Actions (26)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P62593 | bla | Beta-lactamase TEM | substrate | enzymes |
| P02918 | P02918 | Penicillin-binding protein 1A | binder | targets |
| P02919 | P02919 | Penicillin-binding protein 1B | binder | targets |
| P0AD68 | P0AD68 | Peptidoglycan D,D-transpeptidase FtsI | binder | targets |
| P76577 | P76577 | Penicillin-binding protein 1C | binder | targets |
| A0A0H2XJ39 | A0A0H2XJ39 | Penicillin-binding protein 3 | inhibitor | targets |
| P46059 | SLC15A1 | Solute carrier family 15 member 1 | inhibitor | targets |
| Q16348 | Q16348 | Solute carrier family 15 member 2 | inhibitor | targets |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | inhibitor | targets |
| P46059 | SLC15A1 | Solute carrier family 15 member 1 | substrate | targets |
| Q16348 | Q16348 | Solute carrier family 15 member 2 | substrate | targets |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | substrate | targets |
| O76082 | O76082 | Organic cation/carnitine transporter 2 | inhibitor | transporters |
| 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 |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | inhibitor | transporters |
| Q9H015 | Q9H015 | Solute carrier family 22 member 4 | inhibitor | transporters |
| Q9NSA0 | SLC22A11 | Solute carrier family 22 member 11 | inhibitor | transporters |
| O94956 | SLCO2B1 | Solute carrier organic anion transporter family member 2B1 | substrate | transporters |
| P46059 | SLC15A1 | Solute carrier family 15 member 1 | substrate | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | substrate | transporters |
| Q96BD0 | Q96BD0 | Solute carrier organic anion transporter family member 4A1 | substrate | transporters |
| Q9UIG8 | Q9UIG8 | Solute carrier organic anion transporter family member 3A1 | substrate | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | substrate | transporters |