Compound Information | SONAR Target prediction | Name: | DIHYDROXY (3alpha,12alpha)PREGNAN-20-ONE | Unique Identifier: | SPE00100652 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 300.223 g/mol | X log p: | -0.683 (online calculus) | Lipinksi Failures | 0 | TPSA | 17.07 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 3 | Rotatable Bond Count: | 1 | Canonical Smiles: | CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C21C | Class: | sterol | Source: | semisynthetic |
Species: |
4932 |
Condition: |
SMI1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6945±0.0697914 |
Normalized OD Score: sc h |
1.2126±0.0139127 |
Z-Score: |
4.4949±0.674059 |
p-Value: |
0.0000296408 |
Z-Factor: |
0.273931 |
Fitness Defect: |
10.4264 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 4|F3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.10 Celcius | Date: | 2005-12-20 YYYY-MM-DD | Plate CH Control (+): | 0.039125±0.00116 | Plate DMSO Control (-): | 0.66885±0.02433 | Plate Z-Factor: | 0.8784 |
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15955975 |
(3S,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11,12,14,15,16,1 7-tetradecahydrocyclopenta[a]phenanthren-6-one |
15971453 |
n/a |
16061347 |
(3S,5S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7, 8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
16061357 |
(3S,5S,8R,9R,10S,11S,13S,14S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahy drocyclopenta[a]phenanthren-17-one |
internal high similarity DBLink | Rows returned: 3 | |
nonactive | Cluster 17389 | Additional Members: 4 | Rows returned: 3 | |
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