Compound Information | SONAR Target prediction | Name: | PRASTERONE ACETATE | Unique Identifier: | SPE00270029 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 300.223 g/mol | X log p: | 1.393 (online calculus) | Lipinksi Failures | 0 | TPSA | 43.37 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 3 | Rotatable Bond Count: | 2 | Canonical Smiles: | CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1 | Source: | semisynthetic | Therapeutics: | adrenocortical hormone, antidepressant |
Species: |
4932 |
Condition: |
SSE1 |
Replicates: |
2 |
Raw OD Value: r im |
0.4747±0.00692965 |
Normalized OD Score: sc h |
1.2182±0.0123843 |
Z-Score: |
5.8546±0.0139826 |
p-Value: |
0.00000000478872 |
Z-Factor: |
0.0452733 |
Fitness Defect: |
19.157 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 13|B4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.80 Celcius | Date: | 2008-05-01 YYYY-MM-DD | Plate CH Control (+): | 0.041225±0.00159 | Plate DMSO Control (-): | 0.373375±0.02062 | Plate Z-Factor: | 0.7862 |
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538685 |
(17-acetyl-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-1-yl ) acetate |
539914 |
[6-(3-acetyloxy-10,13-dimethyl-16-oxo-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-1 7-yl)-2-methyl-heptyl] acetate |
540877 |
(10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate |
541065 |
n/a |
541141 |
4-(3-acetyloxy-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent anoic acid |
543974 |
methyl 6-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-y l)-2-methyl-heptanoate |
internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
active | Cluster 7902 | Additional Members: 9 | Rows returned: 3 | |
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