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: |
ARD1 |
Replicates: |
2 |
Raw OD Value: r im |
0.5413±0.0224153 |
Normalized OD Score: sc h |
1.3398±0.0263184 |
Z-Score: |
8.8436±0.66817 |
p-Value: |
2.85454e-17 |
Z-Factor: |
0.455601 |
Fitness Defect: |
38.095 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 9|E6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.70 Celcius | Date: | 2008-07-10 YYYY-MM-DD | Plate CH Control (+): | 0.041150000000000006±0.00040 | Plate DMSO Control (-): | 0.38525±0.01329 | Plate Z-Factor: | 0.8790 |
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338441 |
n/a |
347361 |
22-methoxy-22-oxo-docosanoic acid |
348031 |
methyl 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propan oate |
348822 |
methyl 10-methyl-11-oxo-dodecanoate |
369179 |
n/a |
370494 |
methyl 4-[(5R)-3-(hydroxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[ a]phenanthren-17-yl]pentanoate |
internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
active | Cluster 2228 | Additional Members: 18 | Rows returned: 6 | |
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