| 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: |
FKS1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6199±0.0299813 |
| Normalized OD Score: sc h |
0.7416±0.00382393 |
| Z-Score: |
-4.9569±0.503205 |
| p-Value: |
0.00000215608 |
| Z-Factor: |
0.442376 |
| Fitness Defect: |
13.0472 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|B4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.50 Celcius | | Date: | 2008-06-04 YYYY-MM-DD | | Plate CH Control (+): | 0.040425±0.00049 | | Plate DMSO Control (-): | 0.631475±0.00918 | | Plate Z-Factor: | 0.9536 |
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ps
pdf |
| 7052865 |
(3S,8R,9R,10R,13S,14R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclo
penta[a]phenanthrene-17-carboxylate |
| 7052866 |
(3S,8R,9R,10R,13S,14R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclo
penta[a]phenanthrene-17-carboxylic acid |
| 7052867 |
(3R,8R,9R,10S,13S,14R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclo
penta[a]phenanthrene-17-carboxylate |
| 7052868 |
(3R,8R,9R,10S,13S,14R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclo
penta[a]phenanthrene-17-carboxylic acid |
| 7052869 |
(3S,8R,9R,10S,13S,14R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclo
penta[a]phenanthrene-17-carboxylate |
| 7052870 |
(3S,8R,9R,10S,13S,14R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclo
penta[a]phenanthrene-17-carboxylic acid |
| internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
| active | Cluster 7902 | Additional Members: 9 | Rows returned: 3 | |
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