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Compound InformationSONAR 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 Failures0
TPSA43.37
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

Found: 226 active | as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [226]
Species: 4932
Condition: DEP1
Replicates: 2
Raw OD Value: r im 0.5364±0.0341533
Normalized OD Score: sc h 0.7754±0.0442694
Z-Score: -9.9628±1.00059
p-Value: 1.06801e-20
Z-Factor: 0.0392977
Fitness Defect: 45.9859
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:11|B3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2005-12-22 YYYY-MM-DD
Plate CH Control (+):0.03845±0.00077
Plate DMSO Control (-):0.6680499999999999±0.01915
Plate Z-Factor:0.9465
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DBLink | Rows returned: 162[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [27]
5099779 [10,13-dimethyl-17-(5-oxoheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanth
ren-3-yl] acetate
5185941 tert-butyl
2-(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)propanoate
5285048 [(16R,17S)-17-acetyl-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenan
thren-1-yl] acetate
5294419 [(10R,13R)-10,13-dimethyl-17-(6-oxoheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[
a]phenanthren-3-yl] acetate
5771579 (2S)-2-[(3S,8R,9R,13S,14R,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-c
yclopenta[a]phenanthren-17-yl]propanoic acid
6452435 (3S,8S,9S,10R,13R,14S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent
a[a]phenanthrene-17-carboxylic acid

internal high similarity DBLink | Rows returned: 82 Next >> 
SPE00307035 0.9041
BTB 01201 0.9394
NRB 03882 0.9394
SPE00107023 0.9394
SPE00307031 0.9394
BTB 13785 0.9851

active | Cluster 7902 | Additional Members: 9 | Rows returned: 3
SPE01505123 0.435897435897436
SPE01500645 0.276923076923077
SPE01505713 0.205882352941177

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