| 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: |
CHS5 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6719±0.0105359 |
| Normalized OD Score: sc h |
0.9033±0.00222554 |
| Z-Score: |
-4.6943±0.233728 |
| p-Value: |
0.00000355024 |
| Z-Factor: |
0.375852 |
| Fitness Defect: |
12.5485 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|C11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.50 Celcius | | Date: | 2006-03-28 YYYY-MM-DD | | Plate CH Control (+): | 0.039525000000000005±0.00109 | | Plate DMSO Control (-): | 0.740075±0.01290 | | Plate Z-Factor: | 0.9421 |
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| 2754284 |
methyl
(4S)-4-[(5R,10S,13R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta
[a]phenanthren-17-yl]pentanoate |
| 2754310 |
methyl
(4S)-4-[(5R,10S,13R,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopent
a[a]phenanthren-17-yl]pentanoate |
| 2755514 |
methyl (3S)-5-[(1R,2R,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]-3-methyl-pentanoate |
| 2775637 |
methyl bicyclo[3.2.1]octane-7-carboxylate |
| 2802857 |
dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate |
| 2834543 |
methyl 3,5-dimethyladamantane-1-carboxylate |
| internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 6 | |
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