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: |
BNI4 |
Replicates: |
2 |
Raw OD Value: r im |
0.7345±0.0160513 |
Normalized OD Score: sc h |
1.0760±0.0163937 |
Z-Score: |
2.3774±0.695693 |
p-Value: |
0.031743 |
Z-Factor: |
-0.623032 |
Fitness Defect: |
3.4501 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 9|C11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.90 Celcius | Date: | 2006-03-22 YYYY-MM-DD | Plate CH Control (+): | 0.0394±0.00051 | Plate DMSO Control (-): | 0.691725±0.01557 | Plate Z-Factor: | 0.9285 |
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6747 |
4-[(3R,6S)-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 |
129915 |
(4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-6,10,13-trimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17- tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid |
189059 |
(4R)-4-[(3R,5R,6S,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 |
195384 |
(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-6,10,13-trimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16, 17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid |
208141 |
sodium (4R)-4-[(3R,5R,6S,10R,13R,17R)-3,6-dihydroxy-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 |
227030 |
(4R)-4-[(3S,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 |
active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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