Compound Information | SONAR Target prediction | Name: | CHOLIC ACID, METHYL ESTER | Unique Identifier: | SPE01500904 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 381.272 g/mol | X log p: | -0.698 (online calculus) | Lipinksi Failures | 0 | TPSA | 26.3 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 5 | Rotatable Bond Count: | 5 | Canonical Smiles: | COC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C | Class: | sterol | Source: | acid as primary bile constituent |
Species: |
4932 |
Condition: |
BCK2 |
Replicates: |
2 |
Raw OD Value: r im |
0.7434±0.00410122 |
Normalized OD Score: sc h |
1.0025±0.00180307 |
Z-Score: |
0.1021±0.0631871 |
p-Value: |
0.918758 |
Z-Factor: |
-41.9264 |
Fitness Defect: |
0.0847 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 6|C5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.60 Celcius | Date: | 2006-03-29 YYYY-MM-DD | Plate CH Control (+): | 0.038125000000000006±0.00149 | Plate DMSO Control (-): | 0.718975±0.01296 | Plate Z-Factor: | 0.9236 |
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6553919 |
methyl (4S)-4-[(3R,5R,7S,8R,9R,10R,12S,13S,14S,17S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,1 5,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
6571713 |
methyl (4S)-4-[(3S,5S,7R,8S,9S,10R,12R,13S,14R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,1 5,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
6708657 |
methyl 4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetrade cahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
active | Cluster 10691 | Additional Members: 8 | Rows returned: 0 | |
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