| Compound Information | SONAR Target prediction |
| Name: | Azlocillin sodium salt |
| Unique Identifier: | Prest48 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C20H22N5NaO6S |
| Molecular Weight: | 463.316 g/mol |
| X log p: | 8.016 (online calculus) |
| Lipinksi Failures | 2 |
| TPSA | 140.19 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 11 |
| Rotatable Bond Count: | 8 |
| Canonical Smiles: | [Na+].[O-]C(=O)C1N2C(SC1(C)C)C(NC(=O)C(NC(=O)N1CCNC1=O)c1ccccc1)C2=O |
| Generic_name: | Azlocillin |
| Chemical_iupac_name: | 3,3-dimethyl-6-oxo-7-[2-(2-oxoimidazolidin-1-yl)carbonylamino-2-phenyl-acetyl]amino- 2-thia-5-azabicyclo[3.2.0]heptane-4-carboxylic acid |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA448522 |
| Kegg_compound_id: | C06839 |
| Drugbank_id: | APRD00814 |
| H2o_solubility: | Sodium salt is soluble in water (50 mg/ml) |
| Logp: | -0.046 |
| Cas_registry_number: | 37091-66-0 |
| Drug_category: | Anti-Bacterial Agents; Penicillins; ATC:J01CA09 |
| Indication: | For the treatment of infections caused by Pseudomonas aeruginosa, Escherichia coli, and Haemophilus influenzae. |
| Pharmacology: | Azlocillin, similar to mezlocillin and piperacillin, is an acylampicillin with an extended spectrum of activity and greater in vitro potency than the carboxy penicillins. Azlocillin demonstrates antibacterial activity against a broad spectrum of bacteria, including Pseudomonas aeruginosa, and, in contrast to most cephalosporins, exhibits activity against enterococci. |
| Mechanism_of_action: | By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, azlocillin 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 azlocillin interferes with an autolysin inhibitor. |
| Organisms_affected: | Enteric bacteria and other eubacteria |
| Found: 3 nonactive as graph: single | with analogs | 1 2 3 Next >> |
| Species: | 9606 |
| Condition: | TMPPre001 |
| Replicates: | 2 |
| Raw OD Value: r im | 1059.0000±0 |
| Normalized OD Score: sc h | 0.9763±0 |
| Z-Score: | -0.5351±0 |
| p-Value: | 0.592586 |
| Z-Factor: | -11.9063 |
| Fitness Defect: | 0.5233 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 18 | 1 2 3 Next >> |
| 2270 | 3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-4-thia-1-azabicyc lo[3.2.0]heptane-2-carboxylate |
| 2271 | 3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-4-thia-1-azabicyc lo[3.2.0]heptane-2-carboxylic acid |
| 37623 | sodium (2R,5S,6S)-3,3-dimethyl-7-oxo-6-[[(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-4 -thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| 37624 | (2R,5S,6S)-3,3-dimethyl-7-oxo-6-[[(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-4 -thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| 37625 | (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-4-thia -1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| 657278 | sodium (6R)-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-4-thia-1-aza bicyclo[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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