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: |
BCK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.5003±0.0147078 |
Normalized OD Score: sc h |
0.8462±0.0206107 |
Z-Score: |
-6.7976±1.21133 |
p-Value: |
0.00000000141598 |
Z-Factor: |
0.0796161 |
Fitness Defect: |
20.3754 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 6|C11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.00 Celcius | Date: | 2006-03-24 YYYY-MM-DD | Plate CH Control (+): | 0.038424999999999994±0.00113 | Plate DMSO Control (-): | 0.654025±0.02504 | Plate Z-Factor: | 0.8488 |
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7092675 |
methyl (4R)-4-[(3R,5S,8S,9R,10S,12S,13R,14S,17R)-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 |
7092676 |
methyl (4R)-4-[(3R,5S,8S,9R,10S,12S,13R,14R,17R)-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 |
7092677 |
methyl (4R)-4-[(3R,5S,8S,9S,10S,12S,13R,14S,17R)-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 |
7092678 |
methyl (4R)-4-[(3R,5S,8S,9S,10S,12S,13R,14R,17R)-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 |
7099962 |
n/a |
7099971 |
methyl 2-[(3S,5R,8S,9R,10S,13S,14R,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 |
internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
active | Cluster 2228 | Additional Members: 18 | Rows returned: 6 | |
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