| Compound Information | SONAR Target prediction |
| Name: | CEFTRIAXONE SODIUM TRIHYDRATE |
| Unique Identifier: | SPE01503111 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 582.42 g/mol |
| X log p: | -0.0660000000000003 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 237.1 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 13 |
| Rotatable Bond Count: | 9 |
| Canonical Smiles: | [Na+].[Na+].[O-]C(=O)C1N2C(SCC=1CSC1=NC(=O)C(=O)[N-]N1C)C(NC(=O)C(=NOC )c1csc(N)n1)C2=O |
| Source: | semisynthetic; RO-13-9904 |
| Therapeutics: | antibacterial |
| Generic_name: | Ceftriaxone |
| Chemical_iupac_name: | 8-[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino-4-[(2-methyl-5,6-dioxo-1 H-1,2,4-triazin-3-yl)sulfanylmethyl]-7-oxo-2-thia-6-azabicyclo[4.2.0]oct-4-ene-5-car boxylic acid |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA448866 |
| Kegg_compound_id: | C06683 |
| Drugbank_id: | APRD00395 |
| Melting_point: | >155 oC |
| Logp: | -1.341 |
| Cas_registry_number: | 73384-59-5 |
| Drug_category: | Anti-bacterial Agents; Cephalosporins; ATC:J01DD04 |
| Indication: | For the treatment of the infections (respiratory, skin, soft tissue, UTI, ENT) caused by S. pneumoniae, H. influenzae, staphylococci, S. pyogenes (group A beta-hemolytic streptococci), E. coli, P. mirabilis, Klebsiella sp, coagulase-negative staph |
| Pharmacology: | Ceftriaxone is a cephalosporin/cephamycin beta-lactam antibiotic used in the treatment of bacterial infections caused by susceptible, usually gram-positive, organisms. Ceftriaxone has in vitro activity against gram-positive and gram-negative aerobic and anaerobic bacteria. The bactericidal activity of Ceftriaxone results from the inhibition of cell wall synthesis and is mediated through Ceftriaxone binding to penicillin binding proteins (PBPs). Ceftriaxone is stable against hydrolysis by a variety of beta-lactamases, including penicillinases, and cephalosporinases and extended spectrum beta-lactamases. |
| Mechanism_of_action: | Ceftriaxone works by inhibiting the mucopeptide synthesis in the bacterial cell wall. The beta-lactam moiety of Ceftriaxone binds to carboxypeptidases, endopeptidases, and transpeptidases in the bacterial cytoplasmic membrane. These enzymes are involved in cell-wall synthesis and cell division. By binding to these enzymes, Ceftriaxone results in the formation of of defective cell walls and cell death. |
| Organisms_affected: | Enteric bacteria and other eubacteria |
| Found: 1 active | as graph: single | with analogs |
| Species: | 4932 |
| Condition: | ARD1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.5100±0.0111016 |
| Normalized OD Score: sc h | 1.1962±0.0147076 |
| Z-Score: | 5.1161±0.377795 |
| p-Value: | 0.000000657098 |
| Z-Factor: | 0.158835 |
| Fitness Defect: | 14.2354 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 13 | 1 2 3 Next >> |
| 2657 | 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3- yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| 51800 | (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-tr iazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| 3713142 | 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3- yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| 5361919 | (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2 ,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| 5362014 | sodium (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2 ,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| 5479530 | (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2 ,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-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: 1 |
| SPE01502033 | 0.289156626506024 |
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