| Compound Information | SONAR Target prediction |
| Name: | Cefotaxime sodium salt |
| Unique Identifier: | Prest823 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C16H16N5NaO7S2 |
| Molecular Weight: | 462.33 g/mol |
| X log p: | 0.442 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 188.36 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 10 |
| Rotatable Bond Count: | 9 |
| Canonical Smiles: | [Na+].[O-]C(=O)C1N2C(SCC=1COC(C)=O)C(NC(=O)C(=NOC)c1csc(N)n1)C2=O |
| Generic_name: | Cefotaxime |
| Chemical_iupac_name: | 4-(acetyloxymethyl)-8-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-7- oxo-2-thia-6-azabicyclo[4.2.0]oct-4-ene-5-carboxylic acid |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA448852 |
| Kegg_compound_id: | C06885 |
| Drugbank_id: | APRD00854 |
| H2o_solubility: | Soluble |
| Logp: | -0.685 |
| Cas_registry_number: | 63527-52-6 |
| Drug_category: | Anti-Bacterial Agents; ATC:J01DD01 |
| Indication: | Used to treat gonorrhoea, meningitis, and severe infections including infections of the kidney (pyelonephritis) and urinary system. Also used before an operation to prevent infection after surgery. |
| Pharmacology: | Cefotaxime is a third generation intravenous cephalosporin antibiotic. It has broad spectrum activity against Gram positive and Gram negative bacteria. It does not have activity against Pseudomonas aeruginosa. Cefotaxime works by inhibiting bacterial cell wall biosynthesis. A positive feature of cefotaxime is that it display a resistance to penicillinases and is useful to treat infections that are resistant to penicillin derivatives. |
| Mechanism_of_action: | The bactericidal activity of cefotaxime results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs). Cefotaxime shows high affinity for penicillin-binding proteins in the cell wall including PBP Ib and PBP III. |
| 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 | 1836.0000±0 |
| Normalized OD Score: sc h | 0.8936±0 |
| Z-Score: | -2.3972±0 |
| p-Value: | 0.0165224 |
| Z-Factor: | -58.7631 |
| Fitness Defect: | 4.103 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 22 | << Back 1 2 3 4 |
| 7566329 | (6S,7R)-3-(acetyloxymethyl)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-t hia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| 7566335 | (6R,7S)-3-(acetyloxymethyl)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-t hia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| 7566336 | (6R,7S)-3-(acetyloxymethyl)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-t hia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| 16051964 | sodium (6R,7S)-3-(acetyloxymethyl)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-t hia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 437 | Additional Members: 14 | Rows returned: 2 |
| SPE01503111 | 0.340425531914894 |
| SPE01502033 | 0.289156626506024 |
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