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: |
CHS3 |
Replicates: |
2 |
Raw OD Value: r im |
0.5982±0.0103945 |
Normalized OD Score: sc h |
0.9085±0.0132721 |
Z-Score: |
-4.2269±0.512724 |
p-Value: |
0.0000579204 |
Z-Factor: |
-0.427886 |
Fitness Defect: |
9.7564 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 9|E6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.50 Celcius | Date: | 2008-06-20 YYYY-MM-DD | Plate CH Control (+): | 0.040925±0.00049 | Plate DMSO Control (-): | 0.654575±0.01874 | Plate Z-Factor: | 0.9063 |
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6430904 |
methyl 4-methylheptanoate |
6482596 |
methyl hexadecanoate; methyl octadecanoate |
6543718 |
n/a |
6543719 |
n/a |
6543732 |
methyl 2-[(3R,5R,8S,9R,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahyd ro-1H-cyclopenta[a]phenanthren-17-yl]acetate |
6553931 |
methyl (4S)-4-[(3R,5S,8R,9R,10R,12S,13S,14S,17S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,1 7-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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