| Compound Information | SONAR Target prediction | | Name: | Carbenoxolone disodium salt | | Unique Identifier: | Prest19 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C34H48Na2O7 | | Molecular Weight: | 569.363 g/mol | | X log p: | -0.796 (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 | | 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: |
9606 |
| Condition: |
TMPPre002 |
| Replicates: |
2 |
| Raw OD Value: r im |
6987.0000±0 |
| Normalized OD Score: sc h |
1.0020±0 |
| Z-Score: |
0.0445±0 |
| p-Value: |
0.964478 |
| Z-Factor: |
-17.4859 |
| Fitness Defect: |
0.0362 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 11|D8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.20 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 853.5±701.09504 | | Plate DMSO Control (-): | 849±311.18603 | | Plate Z-Factor: | -72.3031 |
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| 6604514 |
(2R,4aR,6aR,6aR,6bS,8aS,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 |
| 6917887 |
(2S,4aR,6aS,6aS,6bR,10S,12aS,14bS)-10-[(1S,2R)-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 |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 6100 | Additional Members: 5 | Rows returned: 2 | |
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