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: |
BNI4 |
Replicates: |
2 |
Raw OD Value: r im |
0.6380±0.0409415 |
Normalized OD Score: sc h |
0.9571±0.0189642 |
Z-Score: |
-1.3076±0.483091 |
p-Value: |
0.216564 |
Z-Factor: |
-2.14164 |
Fitness Defect: |
1.5299 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 6|C5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.10 Celcius | Date: | 2006-03-22 YYYY-MM-DD | Plate CH Control (+): | 0.03955±0.00070 | Plate DMSO Control (-): | 0.640825±0.01531 | Plate Z-Factor: | 0.9537 |
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632808 |
methyl 4-(7-hydroxy-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]p henanthren-17-yl)pentanoate |
632846 |
methyl 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenant hren-17-yl)pentanoate |
634377 |
methyl 6-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenant hren-17-yl)-2-methyl-heptanoate |
637626 |
methyl (4S)-4-[(3S,5R,7S,8R,9S,10S,12S,13R,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 |
2738132 |
methyl 4-[(3R,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-tetradecah ydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
3444423 |
methyl 3-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phe nanthren-17-yl)butanoate |
internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
active | Cluster 10691 | Additional Members: 8 | Rows returned: 0 | |
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