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 Cyclacillin has been replaced by newer penicillin treatments.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 |
Species: |
9606 |
Condition: |
TMPPre003 |
Replicates: |
2 |
Raw OD Value: r im |
5392.0000±0 |
Normalized OD Score: sc h |
0.4751±0 |
Z-Score: |
-14.6032±0 |
p-Value: |
0 |
Z-Factor: |
-1.37065 |
Fitness Defect: |
INF |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Prestwick | Plate Number and Position: | 14|H11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 0 nm | Robot Temperature: | 23.60 Celcius | Date: | 2006-10-10 YYYY-MM-DD | Plate CH Control (+): | 22309.5±7874.12854 | Plate DMSO Control (-): | 12130±7429.00076 | Plate Z-Factor: | -6.0556 |
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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 | |
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