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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8182948 |
(3S,5S,8R,9R,10S,13R,14S,17S)-3-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,14,15,16 ,17-tetradecahydrocyclopenta[a]phenanthren-12-one |
9437144 |
(3S,5R,8S,9R,10R,13R,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahy drocyclopenta[a]phenanthren-11-one |
9437145 |
(3S,5R,8S,9R,10S,13R,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahy drocyclopenta[a]phenanthren-11-one |
9437146 |
(3R,5R,8S,9R,10R,13R,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahy drocyclopenta[a]phenanthren-11-one |
9437147 |
(3R,5R,8S,9R,10S,13R,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahy drocyclopenta[a]phenanthren-11-one |
11943875 |
(3S,5S,8S,9S,10R,13R,14R,17S)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahy drocyclopenta[a]phenanthren-11-one |
internal high similarity DBLink | Rows returned: 3 | |
active | Cluster 17389 | Additional Members: 4 | Rows returned: 1 | |
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