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: |
AAT2 |
Replicates: |
2 |
Raw OD Value: r im |
0.6936±0.010253 |
Normalized OD Score: sc h |
0.9700±0.0178434 |
Z-Score: |
-1.5851±0.912473 |
p-Value: |
0.186507 |
Z-Factor: |
-2.61457 |
Fitness Defect: |
1.6793 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 7|F8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.90 Celcius | Date: | 2008-04-08 YYYY-MM-DD | Plate CH Control (+): | 0.039925±0.00087 | Plate DMSO Control (-): | 0.7106250000000001±0.01121 | Plate Z-Factor: | 0.9393 |
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6977847 |
[(6R,8S,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-cycl openta[a]phenanthren-17-yl] acetate |
7001303 |
[(8S,9R,10R,13S,14S,17S)-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 |
7001304 |
[(8S,9R,10R,13S,14R,17S)-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 |
7001305 |
[(8S,9S,10R,13S,14R,17S)-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 |
7048585 |
[(6S,8R,9S,10R,13S,14R,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cycl openta[a]phenanthren-17-yl] acetate |
7061018 |
[(8S,9S,10R,13S,14S,17R)-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 |
internal high similarity DBLink | Rows returned: 2 | |
active | Cluster 2094 | Additional Members: 20 | Rows returned: 6 | |
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