| 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: |
CCR4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6620±0.0092631 |
| Normalized OD Score: sc h |
1.0105±0.00317889 |
| Z-Score: |
0.4432±0.134918 |
| p-Value: |
0.659052 |
| Z-Factor: |
-23.4797 |
| Fitness Defect: |
0.417 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 16|B9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 28.90 Celcius | | Date: | 2008-04-16 YYYY-MM-DD | | Plate CH Control (+): | 0.0422±0.00080 | | Plate DMSO Control (-): | 0.625425±0.02091 | | Plate Z-Factor: | 0.8753 |
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ps
pdf |
| 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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