Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 31 32 33 34 35 36 37 38 39 40  Next >> [226]
Species: 4932
Condition: SPE00201539
Replicates: 2
Raw OD Value: r im 0.3107±0.0115966
Normalized OD Score: sc h 0.6260±0.0217973
Z-Score: -9.0483±0.0399502
p-Value: 1.50001e-19
Z-Factor: -0.784855
Fitness Defect: 43.3436
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.50 Celcius
Date:2006-11-29 YYYY-MM-DD
Plate CH Control (+):0.042124999999999996±0.00225
Plate DMSO Control (-):0.48529999999999995±0.11363
Plate Z-Factor:0.2991
png
ps
pdf

DBLink | Rows returned: 162[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [27]
6973733 [(1R,8S,9S,10S,13S,14R,16S,17R)-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
6981574 n/a
6994442 (3R,8S,9R,10S,13R,14S,17S)-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
6994443 (3R,8S,9R,10S,13R,14S,17S)-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
7002017 (4R)-4-[(3S,8R,9R,10R,13R,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-
1H-cyclopenta[a]phenanthren-17-yl]pentanoate
7002018 (4R)-4-[(3S,8R,9R,10R,13R,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-
1H-cyclopenta[a]phenanthren-17-yl]pentanoic 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

Service provided by the Mike Tyers Laboratory