Compound Information | SONAR Target prediction | Name: | CARBENOXOLONE SODIUM | Unique Identifier: | SPE01502005 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 567.347 g/mol | X log p: | -0.58 (online calculus) | Lipinksi Failures | 0 | TPSA | 123.63 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 7 | Rotatable Bond Count: | 6 | Canonical Smiles: | [Na+].[Na+].[O-]C(=O)CCC(=O)OC1CCC2(C)C(CCC3(C)C2C(=O)C=C2C4CC(C)(CCC4 (C)CCC23C)C([O-])=O)C1(C)C | Source: | semisynthetic | Therapeutics: | antiinflammatory, antisecretory, antiulcer | Generic_name: | CARBENOXOLONE | Chemical_iupac_name: | CARBENOXOLONE | Drug_type: | Experimental | Drugbank_id: | EXPT00848 | Logp: | 6.96 | Drug_category: | Corticosteroid 11-Beta-Dehydrogenase Isozyme inhibitor | Organisms_affected: | -1 |
Species: |
4932 |
Condition: |
BCK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.7101±0.00940452 |
Normalized OD Score: sc h |
1.0227±0.00167931 |
Z-Score: |
0.6392±0.0215131 |
p-Value: |
0.522736 |
Z-Factor: |
-1.73429 |
Fitness Defect: |
0.6487 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 8|G3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.00 Celcius | Date: | 2008-05-14 YYYY-MM-DD | Plate CH Control (+): | 0.04005000000000001±0.00101 | Plate DMSO Control (-): | 0.69815±0.01515 | Plate Z-Factor: | 0.9291 |
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171136 |
(2R,4aR,6aS,6aS,6bR,10S,12aS,14bS)-10-[(1R,2S)-2-carboxycyclohexanecarbonyl]oxy-2,4a,6a,6b,9,9,12a-hepta methyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid |
174147 |
(2R,4aR,6aS,6bR,10S,12aS,14bS)-10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6, 6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid |
490255 |
10-(2-carboxycyclohexanecarbonyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14 b-dodecahydro-1H-picene-2-carboxylic acid |
636402 |
disodium (2S,4aR,6aS,6aS,6bR,8aS,10S,12aS,14bR)-10-(3-carboxylatopropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13- oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate |
636403 |
(2S,4aR,6aS,6aS,6bR,8aS,10S,12aS,14bR)-10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo- 3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid |
3033828 |
(2S,6aS,6aS,10S)-10-[(1R,2S)-2-carboxycyclohexanecarbonyl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4, 5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 6100 | Additional Members: 5 | Rows returned: 2 | |
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