| Compound Information | SONAR Target prediction |
| Name: | Benzylpenicillin sodium |
| Unique Identifier: | Prest1197 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C16H17N2NaO4S |
| Molecular Weight: | 341.254 g/mol |
| X log p: | 8.597 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 102.81 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 6 |
| Rotatable Bond Count: | 5 |
| Canonical Smiles: | [Na+].[O-]C(=O)C1N2C(SC1(C)C)C(NC(=O)Cc1ccccc1)C2=O |
| Generic_name: | Penicillin G |
| Chemical_iupac_name: | 3,3-dimethyl-6-oxo-7-[(2-phenylacetyl)amino]-2-thia-5-azabicyclo[3.2.0]heptane-4-car boxylic acid |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA450842 |
| Kegg_compound_id: | C05551 |
| Drugbank_id: | APRD00646 |
| Melting_point: | 214-217oC |
| H2o_solubility: | Slightly soluble (210 mg/L) |
| Logp: | 1.212 |
| Isoelectric_point: | 2.74 |
| Cas_registry_number: | 61-33-6 |
| Drug_category: | Anti-bacterial Agents; Penicillins; ATC:J01CE01; ATC:S01AA14 |
| Indication: | For use in the treatment of severe infections caused by penicillin G-susceptible microorganisms when rapid and high penicillin levels are required. |
| Pharmacology: | Penicillin G is a penicillin beta-lactam antibiotic used in the treatment of bacterial infections caused by susceptible, usually gram-positive, organisms. The name "penicillin" can either refer to several variants of penicillin available, or to the group of antibiotics derived from the penicillins. Penicillin G has in vitro activity against gram-positive and gram-negative aerobic and anaerobic bacteria. The bactericidal activity of penicillin G results from the inhibition of cell wall synthesis and is mediated through penicillin G binding to penicillin binding proteins (PBPs). Penicillin G is stable against hydrolysis by a variety of beta-lactamases, including penicillinases, and cephalosporinases and extended spectrum beta-lactamases. |
| Mechanism_of_action: | By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, penicillin G inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that penicillin G interferes with an autolysin inhibitor. |
| Organisms_affected: | Enteric bacteria and other eubacteria |
| Found: 3 nonactive as graph: single | with analogs | << Back 1 2 3 |
| Species: | 9606 |
| Condition: | TMPPre003 |
| Replicates: | 2 |
| Raw OD Value: r im | 11833.0000±0 |
| Normalized OD Score: sc h | 0.9719±0 |
| Z-Score: | -0.7815±0 |
| p-Value: | 0.434488 |
| Z-Factor: | -5.60409 |
| Fitness Defect: | 0.8336 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 24 | << Back 1 2 3 4 Next >> |
| 102612 | calcium 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| 199209 | (2S,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| 272813 | N,N-diethylethanamine; 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| 443084 | potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| 517294 | sodium 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| 517573 | potassium 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 3276 | Additional Members: 16 | Rows returned: 1 |
| SPE01500448 | 0.459459459459459 |
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