| 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: |
DOC1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5143±0.00997021 |
| Normalized OD Score: sc h |
1.0204±0.00221313 |
| Z-Score: |
0.7218±0.0591453 |
| p-Value: |
0.470816 |
| Z-Factor: |
-4.14357 |
| Fitness Defect: |
0.7533 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|A3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.50 Celcius | | Date: | 2008-05-09 YYYY-MM-DD | | Plate CH Control (+): | 0.040925±0.00058 | | Plate DMSO Control (-): | 0.517875±0.02392 | | Plate Z-Factor: | 0.8404 |
|  png
ps
pdf |
| 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 |
| 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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