| Compound Information | SONAR Target prediction |
| Name: | DICLOXACILLIN SODIUM |
| Unique Identifier: | SPE01500238 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 476.182 g/mol |
| X log p: | 6.763 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 124.4 |
| 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)c1c(C)onc1c1c(Cl)cccc1Cl)C2=O |
| Source: | semisynthetic |
| Therapeutics: | antibacterial |
| Generic_name: | Cloxacillin |
| Chemical_iupac_name: | 7-[[3-(2-chlorophenyl)-5-methyl-oxazol-4-yl]carbonylamino]-3,3-dimethyl-6-oxo-2-thia -5-azabicyclo[3.2.0]heptane-4-carboxylic acid |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449059 |
| Kegg_compound_id: | C06923 |
| Drugbank_id: | APRD00882 |
| H2o_solubility: | 13.9 mg/L |
| Logp: | 2.274 |
| Isoelectric_point: | 2.78 |
| Cas_registry_number: | 61-72-3 |
| Drug_category: | Anti-Bacterial Agents; ATC:J01CF02 |
| Indication: | Used to treat infections caused by penicillinase-producing staphylococci, including pneumococci, group A beta-hemolytic streptococci, and penicillin G-sensitive and penicillin G-resistant staphylococci. |
| Pharmacology: | Cloxacillin is a semisynthetic antibiotic in the same class as penicillin. Cloxacillin is for use against staphylococci that produce beta-lactamase. |
| Mechanism_of_action: | By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, cloxacillin 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 cloxacillin interferes with an autolysin inhibitor. |
| Organisms_affected: | Enteric bacteria and other eubacteria |
| Found: 1 active | as graph: single | with analogs |
| Species: | 4932 |
| Condition: | GCN3 |
| Replicates: | 2 |
| Raw OD Value: r im | 1.0092±0.260993 |
| Normalized OD Score: sc h | 1.4652±0.370637 |
| Z-Score: | 23.7674±19.3232 |
| p-Value: | 2.65546e-24 |
| Z-Factor: | -4.03429 |
| Fitness Defect: | 54.2854 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 25 | 1 2 3 4 5 Next >> |
| 2813 | 6-[[3-(2-chlorophenyl)-5-methyl-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]h eptane-2-carboxylate |
| 2814 | 6-[[3-(2-chlorophenyl)-5-methyl-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]h eptane-2-carboxylic acid |
| 3040 | 6-[[3-(2,6-dichlorophenyl)-5-methyl-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2 .0]heptane-2-carboxylate |
| 3041 | 6-[[3-(2,6-dichlorophenyl)-5-methyl-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2 .0]heptane-2-carboxylic acid |
| 6098 | (2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicy clo[3.2.0]heptane-2-carboxylic acid |
| 12557 | sodium (2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicy clo[3.2.0]heptane-2-carboxylate |
| internal high similarity DBLink | Rows returned: 2 |
| SPE01500448 | 0.9526 |
| SPE01500201 | 1.0000 |
| active | Cluster 8647 | Additional Members: 126 | Rows returned: 3 |
| CD 05753 | 0.477611940298508 |
| RF 00040 | 0.30188679245283 |
| SPB 00192 | 0.18 |
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