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

Compound InformationSONAR Target prediction
Name:

ESTRONE ACETATE

Unique Identifier:SPE01501181
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:288.212 g/mol
X log p:6.162  (online calculus)
Lipinksi Failures1
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:2
Canonical Smiles:CC(=O)Oc1ccc2C3CCC4(C)C(CCC4=O)C3CCc2c1
Source:semisynthetic
Therapeutics:estrogen

Found: 201 nonactive | as graph: single | with analogs [1] << Back 181 182 183 184 185 186 187 188 189 190  Next >> [201]
Species: 4932
Condition: VPS1
Replicates: 2
Raw OD Value: r im 0.6554±0.00714178
Normalized OD Score: sc h 1.0132±0.00294278
Z-Score: 0.5194±0.0996739
p-Value: 0.60436
Z-Factor: -5.33647
Fitness Defect: 0.5036
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:15|B6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2007-10-03 YYYY-MM-DD
Plate CH Control (+):0.0402±0.00087
Plate DMSO Control (-):0.63625±0.03085
Plate Z-Factor:0.8168
png
ps
pdf

DBLink | Rows returned: 5
3273 (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate
92846 [(8S,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]
acetate
636639 [(8S,9S,13R,14R)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]
acetate
6710671 [(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate
6918971 [(8S,9R,13S,14R)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]
acetate

internal high similarity DBLink | Rows returned: 0

active | Cluster 13348 | Additional Members: 15 | Rows returned: 2
SPE01503676 0.309859154929578
SPE01500286 0.306451612903226

Service provided by the Mike Tyers Laboratory