| 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: |
SMI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4133±0.0657609 |
| Normalized OD Score: sc h |
0.7091±0.0953479 |
| Z-Score: |
-6.0496±1.48958 |
| p-Value: |
0.0000002922 |
| Z-Factor: |
-0.230984 |
| Fitness Defect: |
15.0458 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|C11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.30 Celcius | | Date: | 2005-12-20 YYYY-MM-DD | | Plate CH Control (+): | 0.0388±0.00131 | | Plate DMSO Control (-): | 0.5943499999999999±0.01470 | | Plate Z-Factor: | 0.8925 |
|  png
ps
pdf |
| 523245 |
methyl 6-methyloctanoate |
| 523412 |
methyl 2-propylhexanoate |
| 524279 |
methyl bicyclo[2.2.2]octane-1-carboxylate |
| 524286 |
methyl 2,3,4,5,6,6a-hexahydro-1H-pentalene-3a-carboxylate |
| 524785 |
methyl 1-methylcyclohexane-1-carboxylate |
| 525065 |
methyl 11-hydroxyundecanoate |
| internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 6 | |
|
