| Compound Information | SONAR Target prediction |
| Name: | Ampicillin trihydrate |
| Unique Identifier: | Prest822 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C16H25N3O7S |
| Molecular Weight: | 378.253 g/mol |
| X log p: | 8.457 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 79.75 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 7 |
| Rotatable Bond Count: | 5 |
| Canonical Smiles: | O.O.O.CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(O)=O |
| Generic_name: | Ampicillin |
| Chemical_iupac_name: | 7-(2-amino-2-phenyl-acetyl)amino-3,3-dimethyl-6-oxo-2-thia-5-azabicyclo[3.2.0]heptan e-4-carboxylicacid |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA448419 |
| Kegg_compound_id: | C06574 |
| Drugbank_id: | APRD00320 |
| Melting_point: | 208 oC |
| H2o_solubility: | 1.01E+004 mg/L |
| Logp: | 1.35 |
| Cas_registry_number: | 69-53-4 |
| Drug_category: | Anti-bacterial Agents; Penicillins; ATC:J01CA01; ATC:J01CA02; ATC:J01CA06; ATC:J01CA14; ATC:J01CA15; ATC:S01AA19 |
| Indication: | For treatment of infection (Respiratory, GI, UTI and meningitis) due to E. coli, P. mirabilis, enterococci, Shigella, S. typhosa and other Salmonella, nonpenicillinase-producing N. gononhoeae, H. influenzae, staphylococci, streptococci including streptoc |
| Pharmacology: | Ampicillin 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. Ampicillin has in vitro activity against gram-positive and gram-negative aerobic and anaerobic bacteria. The bactericidal activity of Ampicillin results from the inhibition of cell wall synthesis and is mediated through Ampicillin binding to penicillin binding proteins (PBPs). Ampicillin 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, Ampicillin 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 Ampicillin interferes with an autolysin inhibitor. |
| Organisms_affected: | Enteric bacteria and other eubacteria |
| Found: 3 nonactive as graph: single | with analogs | << Back 1 2 3 Next >> |
| Species: | 9606 |
| Condition: | TMPPre002 |
| Replicates: | 2 |
| Raw OD Value: r im | 9698.0000±0 |
| Normalized OD Score: sc h | 0.9601±0 |
| Z-Score: | -0.8994±0 |
| p-Value: | 0.368466 |
| Z-Factor: | -14.3326 |
| Fitness Defect: | 0.9984 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 27 | 1 2 3 4 5 Next >> |
| 2173 | 6-[(2-amino-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| 2174 | 6-[(2-amino-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| 6248 | sodium 6-[(2-amino-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| 6249 | (2S,5R,6R)-6-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane- 2-carboxylic acid |
| 23565 | (2S,5R,6R)-6-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane- 2-carboxylic acid trihydrate |
| 23566 | (2S,5R,6R)-6-[(2-amino-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-car boxylic acid |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 15024 | Additional Members: 10 | Rows returned: 3 |
| Prest1097 | 0.426470588235294 |
| Prest1304 | 0.407407407407407 |
| Prest1280 | 0.323943661971831 |
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