| Compound Information | SONAR Target prediction |
| Name: | Cyclacillin |
| Unique Identifier: | Prest1097 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C15H23N3O4S |
| Molecular Weight: | 320.26 g/mol |
| X log p: | -3.107 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 79.75 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 7 |
| Rotatable Bond Count: | 4 |
| Canonical Smiles: | CC1(C)SC2C(NC(=O)C3(N)CCCCC3)C(=O)N2C1C(O)=O |
| Generic_name: | Cyclacillin |
| Chemical_iupac_name: | 6-(1-aminocyclohexyl)carbonylamino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept ane-2-carboxylic acid |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449155 |
| Kegg_compound_id: | C12766 |
| Drugbank_id: | APRD00892 |
| Logp: | 0.336 |
| Cas_registry_number: | 3485-14-1 |
| Drug_category: | Anti-Bacterial Agents |
| Pharmacology: | Cyclacillin, a penicillin, is a cyclohexylamido analog of penicillanic acid. Cyclacillin is more resistant to beta-lactamase hydrolysis than ampicillin, is much better absorbed when given by mouth and, as a result, the levels reached in the blood and in the urine are considerably higher than those obtained with the same dose of ampicillin. Cyclacillin has been replaced by newer penicillin treatments. |
| Mechanism_of_action: | The bactericidal activity of cyclacillin results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs). Cyclacillin is stable in the presence of a variety of b-lactamases, including penicillinases and some cephalosporinases. |
| Organisms_affected: | Enteric bacteria and other eubacteria |
| Found: 3 active as graph: single | with analogs | 1 2 3 Next >> |
| Species: | 9606 |
| Condition: | TMPPre001 |
| Replicates: | 2 |
| Raw OD Value: r im | 292.0000±0 |
| Normalized OD Score: sc h | 0.4312±0 |
| Z-Score: | -12.8204±0 |
| p-Value: | 1.26057e-37 |
| Z-Factor: | -1.10456 |
| Fitness Defect: | 84.9641 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 6 |
| 2748 | 6-[(1-aminocyclohexanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| 19003 | (2S,5R,6R)-6-[(1-aminocyclohexanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2- carboxylic acid |
| 256125 | (2S,5R,6R)-6-[(1-aminocyclopentanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2 -carboxylic acid |
| 494047 | 6-[(1-aminocyclopentanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| 3246320 | (2R,5R,6R)-6-[(1-aminocyclohexanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2- carboxylic acid |
| 6713825 | (2R,5S,6R)-6-[(1-aminocyclohexanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2- carboxylic acid |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 15024 | Additional Members: 10 | Rows returned: 2 |
| Prest1304 | 0.407407407407407 |
| Prest1280 | 0.323943661971831 |
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