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: |
MAD1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6376±0.0238295 |
Normalized OD Score: sc h |
0.8841±0.050466 |
Z-Score: |
-6.7126±3.23412 |
p-Value: |
0.00000480512 |
Z-Factor: |
-33.846 |
Fitness Defect: |
12.2458 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 11|B3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.40 Celcius | Date: | 2007-10-05 YYYY-MM-DD | Plate CH Control (+): | 0.04155±0.00084 | Plate DMSO Control (-): | 0.7103250000000001±0.18237 | Plate Z-Factor: | 0.0721 |
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2748222 |
(10,13,16-trimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate |
2854228 |
n/a |
3499620 |
(17-acetyl-16-ethyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren -3-yl) acetate |
3504549 |
3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-car boxylate |
3553266 |
ethyl 3-(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)butanoate |
3650849 |
(17-acetyl-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl ) acetate |
internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
active | Cluster 7902 | Additional Members: 9 | Rows returned: 3 | |
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