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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 191 192 193 194 195 196 197 198 199 200  Next >> [226]
Species: 4932
Condition: RIC1
Replicates: 2
Raw OD Value: r im 0.1653±0.00304056
Normalized OD Score: sc h 0.4028±0.0190479
Z-Score: -7.3274±1.08031
p-Value: 0.000000000026273
Z-Factor: 0.727417
Fitness Defect: 24.3625
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:11|B3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.70 Celcius
Date:2006-03-17 YYYY-MM-DD
Plate CH Control (+):0.0395±0.00166
Plate DMSO Control (-):0.38125±0.01337
Plate Z-Factor:0.8982
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DBLink | Rows returned: 162[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [27]
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: 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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