| Compound Information | SONAR Target prediction |
| Name: | PIPERACILLIN SODIUM |
| Unique Identifier: | SPE01500489 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 513.331 g/mol |
| X log p: | 8.011 (online calculus) |
| Lipinksi Failures | 2 |
| TPSA | 160.5 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 12 |
| Rotatable Bond Count: | 9 |
| Canonical Smiles: | [Na+].[O-]C(=O)C1N2C(SC1(C)C)C(NC(=O)C(NC(=O)N1CCN(CC)C(=O)C1=O)c1cccc c1)C2=O |
| Source: | semisynthetic |
| Therapeutics: | antibacterial |
| Generic_name: | Piperacillin |
| Chemical_iupac_name: | 7-[2-(4-ethyl-2,3-dioxo-piperazin-1-yl)carbonylamino-2-phenyl-acetyl]amino-3,3-dimet hyl-6-oxo-2-thia-5-azabicyclo[3.2.0]heptane-4-carboxylate |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA450975 |
| Kegg_compound_id: | C07361 |
| Drugbank_id: | APRD00325 |
| Cas_registry_number: | 66258-76-2 |
| Drug_category: | Anti-bacterial Agents; Penicillins; ATC:J01CA12 |
| Indication: | For the treatment of polymicrobial infections. |
| Pharmacology: | Piperacillin 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. Piperacillin has in vitro activity against gram-positive and gram-negative aerobic and anaerobic bacteria. The bactericidal activity of Piperacillin results from the inhibition of cell wall synthesis and is mediated through Piperacillin binding to penicillin binding proteins (PBPs). Piperacillin 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, Piperacillin 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 Piperacillin interferes with an autolysin inhibitor. |
| Organisms_affected: | Enteric bacteria and other eubacteria |
| Found: 205 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | AAT2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7216±0.000989949 |
| Normalized OD Score: sc h | 0.9979±0.00324748 |
| Z-Score: | -0.1153±0.175264 |
| p-Value: | 0.90202 |
| Z-Factor: | -205.146 |
| Fitness Defect: | 0.1031 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 18 | 1 2 3 Next >> |
| 4834 | 6-[[2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia- 1-azabicyclo[3.2.0]heptane-2-carboxylate |
| 4835 | 6-[[2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia- 1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| 43066 | sodium (2R,5S,6S)-6-[[(2R)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-3,3-dimeth yl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| 43067 | (2R,5S,6S)-6-[[(2R)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-3,3-dimeth yl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| 43672 | (2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-3,3-dimeth yl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| 73246 | (2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-3,3-dimeth yl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid hydrate |
| internal high similarity DBLink | Rows returned: 2 |
| SPE01500327 | 0.9402 |
| SPE01503101 | 0.9722 |
| active | Cluster 3276 | Additional Members: 16 | Rows returned: 1 |
| SPE01500448 | 0.459459459459459 |
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