Compound Information | SONAR Target prediction | Name: | METHYL DEOXYCHOLATE | Unique Identifier: | SPE00270051 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 364.265 g/mol | X log p: | -0.0670000000000001 (online calculus) | Lipinksi Failures | 0 | TPSA | 26.3 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 4 | Rotatable Bond Count: | 5 | Canonical Smiles: | COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C | Class: | sterol | Source: | rabbit bile & feces | Reference: | Helv Chim Acta 25:797 (1942); J Biol Chem 238: 3846 (1963) | Generic_name: | METHYL NONANOATE (ESTER) | Chemical_iupac_name: | METHYL NONANOATE (ESTER) | Drug_type: | Experimental | Drugbank_id: | EXPT02376 | Drug_category: | Neutrophil Gelatinase inhibitor | Organisms_affected: | -1 |
Species: |
4932 |
Condition: |
FKS1 |
Replicates: |
2 |
Raw OD Value: r im |
0.5408±0.0495682 |
Normalized OD Score: sc h |
0.6987±0.0630217 |
Z-Score: |
-13.1799±2.29406 |
p-Value: |
3.37362e-31 |
Z-Factor: |
0.19388 |
Fitness Defect: |
70.1642 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 6|C11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 22.40 Celcius | Date: | 2006-04-11 YYYY-MM-DD | Plate CH Control (+): | 0.0395±0.00209 | Plate DMSO Control (-): | 0.57±0.03413 | Plate Z-Factor: | 0.8061 |
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639452 |
methyl (1S,3S,8S)-2-methyl-7-oxo-bicyclo[6.4.0]dodecane-3-carboxylate |
640673 |
methyl (2S)-2-[(1S,4R,4aS,7S,8aS)-7-hydroxy-4-methyl-decalin-1-yl]propanoate |
642258 |
methyl (6R)-2,2,6-trimethylnonanoate |
642259 |
methyl (4S)-2,2,4-trimethylheptanoate |
642261 |
methyl (4R,6R)-2,2,4,6-tetramethylnonanoate |
642263 |
methyl 2,2,6,6,8-pentamethylnonanoate |
internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
active | Cluster 2228 | Additional Members: 18 | Rows returned: 6 | |
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