| 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: |
SKT5 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6138±0.0222032 |
| Normalized OD Score: sc h |
0.8996±0.0313487 |
| Z-Score: |
-4.9970±1.58472 |
| p-Value: |
0.0000530068 |
| Z-Factor: |
-0.457079 |
| Fitness Defect: |
9.8451 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|E6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.80 Celcius | | Date: | 2008-06-17 YYYY-MM-DD | | Plate CH Control (+): | 0.040525000000000005±0.00041 | | Plate DMSO Control (-): | 0.6823999999999999±0.01173 | | Plate Z-Factor: | 0.9330 |
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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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