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: |
TOP1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6503±0.0270115 |
Normalized OD Score: sc h |
1.2645±0.0195094 |
Z-Score: |
4.2764±0.525667 |
p-Value: |
0.0000488426 |
Z-Factor: |
0.496256 |
Fitness Defect: |
9.9269 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 4|F3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.40 Celcius | Date: | 2006-04-26 YYYY-MM-DD | Plate CH Control (+): | 0.039575±0.00117 | Plate DMSO Control (-): | 0.61475±0.01562 | Plate Z-Factor: | 0.8810 |
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7121443 |
(3S,5S,8S,9R,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11, 12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
7790517 |
(3S,5S,8R,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11, 12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
8029386 |
(3S,5S,8R,9S,10R,13R,14S,17S)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11, 12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
8182901 |
(3S,5S,8R,9R,10S,13R,14S,17R)-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 |
8182917 |
(3S,5S,8R,9R,10S,13R,14S,17R)-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 |
8182933 |
(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 |
internal high similarity DBLink | Rows returned: 3 | |
active | Cluster 17389 | Additional Members: 4 | Rows returned: 1 | |
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