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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 2 3 4 5 6 7 8 9 10  Next >> [226]
Species: 4932
Condition: SPE01502260
Replicates: 2
Raw OD Value: r im 0.0559±0
Normalized OD Score: sc h 0.1645±0
Z-Score: -13.5363±0
p-Value: 9.55125e-42
Z-Factor: 0.844824
Fitness Defect: 94.4519
Bioactivity Statement: Toxic
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|E9
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.04065±0.00109
Plate DMSO Control (-):0.33975±0.01459
Plate Z-Factor:0.8418
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DBLink | Rows returned: 162[1] << Back 21 22 23 24 25 26 27
7322105 [(3S,8S,9R,10R,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-oxoheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dode
cahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
7322106 [(3S,8S,9R,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-oxoheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dode
cahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
7322108 [(3S,8S,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2S)-6-oxoheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dode
cahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
7322109 [(3S,8S,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-oxoheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dode
cahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
7565857 [(3R,8S,9R,10S,13R,14R,17R)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclop
enta[a]phenanthren-3-yl] acetate
16055781 n/a

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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