Compound Information | SONAR Target prediction | Name: | DESOXYCORTICOSTERONE ACETATE | Unique Identifier: | SPE00300029 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 340.244 g/mol | X log p: | 1.899 (online calculus) | Lipinksi Failures | 0 | TPSA | 60.44 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 4 | Rotatable Bond Count: | 4 | Canonical Smiles: | CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C | Source: | adrenocortex | Therapeutics: | mineralocorticoid |
Species: |
4932 |
Condition: |
RAD52 |
Replicates: |
2 |
Raw OD Value: r im |
0.5874±0.0123037 |
Normalized OD Score: sc h |
0.8964±0.0113894 |
Z-Score: |
-4.3688±0.528676 |
p-Value: |
0.00003341 |
Z-Factor: |
-7.32168 |
Fitness Defect: |
10.3067 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 10|B5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.60 Celcius | Date: | 2007-10-26 YYYY-MM-DD | Plate CH Control (+): | 0.041749999999999995±0.00042 | Plate DMSO Control (-): | 0.6394±0.11377 | Plate Z-Factor: | 0.4033 |
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62992 |
[(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclope nta[a]phenanthren-17-yl] acetate |
86543 |
(17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate |
134963 |
[(8R,9S,10R,13S,14S,17R)-17-acetyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a ]phenanthren-17-yl] acetate |
229869 |
[2-(2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,14b-dodecahydropicen-2-yl)-2-ox o-ethyl] acetate |
241767 |
[(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-17-propanoyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclope nta[a]phenanthren-17-yl] acetate |
266116 |
(17-acetyl-4,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate |
internal high similarity DBLink | Rows returned: 2 | |
active | Cluster 2094 | Additional Members: 20 | Rows returned: 6 | |
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