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 11 12 13 14 15 16 17 18 19 20  Next >> [226]
Species: 4932
Condition: SPE00307050
Replicates: 2
Raw OD Value: r im 0.0476±0
Normalized OD Score: sc h 0.0635±0
Z-Score: -8.4209±0
p-Value: 3.73556e-17
Z-Factor: 0.835928
Fitness Defect: 37.826
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 (+):0.03955±0.00095
Plate DMSO Control (-):0.7793±0.03994
Plate Z-Factor:0.8342
png
ps
pdf

DBLink | Rows returned: 162[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [27]
7079541 ethyl
(3S)-3-[(3S,8S,9R,10R,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-
1H-cyclopenta[a]phenanthren-17-yl]butanoate
7081727 [(3R,8R,9S,10R,13S,14R,16R,17R)-16-ethyl-10,13-dimethyl-17-propanoyl-2,3,4,7,8,9,11,12,14,15,16,17-dodec
ahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
7081728 [(3R,8R,9S,10R,13S,14S,16R,17R)-16-ethyl-10,13-dimethyl-17-propanoyl-2,3,4,7,8,9,11,12,14,15,16,17-dodec
ahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
7081729 [(3R,8S,9S,10R,13S,14R,16R,17R)-16-ethyl-10,13-dimethyl-17-propanoyl-2,3,4,7,8,9,11,12,14,15,16,17-dodec
ahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
7081730 [(3R,8S,9S,10R,13S,14S,16R,17R)-16-ethyl-10,13-dimethyl-17-propanoyl-2,3,4,7,8,9,11,12,14,15,16,17-dodec
ahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
7087836 [(3R,8S,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phena
nthren-3-yl] acetate

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