| 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: |
WHI5 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5852±0.00954594 |
| Normalized OD Score: sc h |
0.9483±0.00707567 |
| Z-Score: |
-1.7857±0.145 |
| p-Value: |
0.0756634 |
| Z-Factor: |
-4.0896 |
| Fitness Defect: |
2.5815 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|A3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.70 Celcius | | Date: | 2008-09-16 YYYY-MM-DD | | Plate CH Control (+): | 0.04095±0.00053 | | Plate DMSO Control (-): | 0.6414249999999999±0.04204 | | Plate Z-Factor: | 0.7749 |
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ps
pdf |
| 227033 |
4-(3,6-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)pentanoic acid |
| 316306 |
9,12-dihydroxyoctadecanoic acid |
| 376833 |
4-[(5R,8S,10R,13R,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 |
| 3038175 |
(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]pentanoic acid |
| 5283820 |
(4R)-4-[(3R,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 |
| 5283821 |
(4R)-4-[(3R,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 |
| 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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