Compound Information | SONAR Target prediction | Name: | alpha-HYDROXYDEOXYCHOLIC ACID | Unique Identifier: | SPE00270049 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 353.262 g/mol | X log p: | -0.402 (online calculus) | Lipinksi Failures | 0 | TPSA | 17.07 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 4 | Rotatable Bond Count: | 4 | Canonical Smiles: | CC(CCC(O)=O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C | Class: | sterol | Source: | pig bile | Reference: | J Chem Soc 1990: 1 |
Species: |
4932 |
Condition: |
TOR1 |
Replicates: |
2 |
Raw OD Value: r im |
1.0155±0.000282843 |
Normalized OD Score: sc h |
1.0000±0 |
Z-Score: |
1.3226±0.00594914 |
p-Value: |
0.185963 |
Z-Factor: |
-248.408 |
Fitness Defect: |
1.6822 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 16|H5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2012-09-18 YYYY-MM-DD | Plate CH Control (+): | -0.00025±0.00199 | Plate DMSO Control (-): | 1.00045±0.03683 | Plate Z-Factor: | 0.8780 |
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5283822 |
(4R)-4-[(3S,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17- tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
5283823 |
(4R)-4-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17- tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
5283824 |
(4R)-4-[(3R,5S,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17- tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
5283825 |
(4R)-4-[(3R,5S,6R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17- tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
5283826 |
(4R)-4-[(3S,5S,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17- tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
5283866 |
(4R)-4-[(3R,5R,6R,8R,9S,10S,12S,13R,14S,17R)-3,6,12-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]pentanoic acid |
internal high similarity DBLink | Rows returned: 35 | 1 2 3 4 5 6 Next >> |
active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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