Compound Information | SONAR Target prediction | Name: | PENICILLIN G POTASSIUM | Unique Identifier: | SPE01500465 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 355.347 g/mol | X log p: | 9.05 (online calculus) | Lipinksi Failures | 1 | TPSA | 102.81 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 6 | Rotatable Bond Count: | 5 | Canonical Smiles: | [K+].[O-]C(=O)C1N2C(SC1(C)C)C(NC(=O)Cc1ccccc1)C2=O | Source: | Penicillium spp | Therapeutics: | antibacterial | 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 |
Species: |
4932 |
Condition: |
BCK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.8495±0.0352846 |
Normalized OD Score: sc h |
0.9976±0.00685559 |
Z-Score: |
0.0916±0.13559 |
p-Value: |
0.923938 |
Z-Factor: |
-12.2165 |
Fitness Defect: |
0.0791 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 4|D3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2010-08-10 YYYY-MM-DD | Plate CH Control (+): | 0.10125±0.01065 | Plate DMSO Control (-): | 0.9452499999999998±0.01954 | Plate Z-Factor: | 0.8785 |
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2349 |
3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
4729 |
3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
5904 |
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
6250 |
sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
8232 |
potassium 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
13788 |
calcium 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
internal high similarity DBLink | Rows returned: 3 | |
active | Cluster 3276 | Additional Members: 16 | Rows returned: 1 | |
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