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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 41 42 43 44 45 46 47 48 49 50  Next >> [226]
Species: 4932
Condition: SPE00100305
Replicates: 2
Raw OD Value: r im 0.4114±0.0122329
Normalized OD Score: sc h 0.8499±0.0506092
Z-Score: -5.5132±2.11212
p-Value: 0.000029137
Z-Factor: -0.918339
Fitness Defect: 10.4435
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.60 Celcius
Date:2006-12-14 YYYY-MM-DD
Plate CH Control (+):0.03845±0.00164
Plate DMSO Control (-):0.5261750000000001±0.02605
Plate Z-Factor:0.8377
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DBLink | Rows returned: 162[1] << Back 21 22 23 24 25 26 27 Next >> [27]
7219132 [(1S,8R,9S,10R,13S,14R,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahyd
rocyclopenta[a]phenanthren-1-yl] acetate
7219133 [(1S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahyd
rocyclopenta[a]phenanthren-1-yl] acetate
7285103 n/a
7285104 n/a
7285105 n/a
7285107 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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