| Compound Information | SONAR Target prediction |
| Name: | Phenethicillin potassium salt |
| Unique Identifier: | Prest142 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C17H19KN2O5S |
| Molecular Weight: | 385.373 g/mol |
| X log p: | 8.928 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 112.04 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 7 |
| Rotatable Bond Count: | 6 |
| Canonical Smiles: | [K+].[O-]C(=O)C1N2C(SC1(C)C)C(NC(=O)C(C)Oc1ccccc1)C2=O |
| Generic_name: | Penicillin V |
| Chemical_iupac_name: | 3,3-dimethyl-6-oxo-7-(2-phenoxyacetyl)amino-2-thia-5-azabicyclo[3.2.0]heptane-4-carb oxylic acid |
| Drug_type: | Approved Drug |
| Kegg_compound_id: | C08126 |
| Drugbank_id: | APRD00423 |
| Melting_point: | 120-128 oC |
| H2o_solubility: | <0.1 g/100mL |
| Logp: | 2.09 |
| Isoelectric_point: | 2.79 |
| Cas_registry_number: | 08/01/1987 |
| Drug_category: | Anti-bacterial Agents; Penicillins; ATC:J01CE02 |
| Indication: | For the treatment of mild to moderately severe infections (e.g. dental infection, infections in the heart, middle ear infections, rheumatic fever, scarlet fever, skin infections, upper and lower respiratory tract infections) due to microorganisms |
| Pharmacology: | Penicillin V 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 V has in vitro activity against gram-positive and gram-negative aerobic and anaerobic bacteria. The bactericidal activity of Penicillin V results from the inhibition of cell wall synthesis and is mediated through Penicillin V binding to penicillin binding proteins (PBPs). Penicillin V 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 V 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 V 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 | 11896.0000±0 |
| Normalized OD Score: sc h | 0.8756±0 |
| Z-Score: | -3.4607±0 |
| p-Value: | 0.000538704 |
| Z-Factor: | -3.50713 |
| Fitness Defect: | 7.5263 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 35 | << Back 1 2 3 4 5 6 Next >> |
| 8603 | potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-phenoxypropanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-car boxylate |
| 8604 | (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-phenoxypropanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-car boxylic acid |
| 8605 | potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| 121340 | sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| 164549 | calcium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| 272833 | (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxypropanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 3276 | Additional Members: 16 | Rows returned: 1 |
| SPE01500448 | 0.459459459459459 |
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