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Compound InformationSONAR Target prediction
Name:

Lynestrenol

Unique Identifier:Prest533
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C20H28O
Molecular Weight:260.245 g/mol
X log p:2.239  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:0
Canonical Smiles:CC12CCC3C(CCC4=CCCCC34)C1CCC2(O)C#C

Found: 3 nonactive as graph: single | with analogs 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1719.0000±0
Normalized OD Score: sc h 0.8580±0
Z-Score: -3.1997±0
p-Value: 0.00137545
Z-Factor: -15.489
Fitness Defect: 6.589
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:2|B6
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.40 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):979±955.64442
Plate DMSO Control (-):1983.5±536.09994
Plate Z-Factor:-4.7841
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DBLink | Rows returned: 102 Next >> 
5857 (8R,9R,10R,13S,14S,17S)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]p
henanthren-17-ol
13471 (8S,9S,13S,14S,17S)-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenan
thren-17-ol
28141 (9R,14S)-17-ethynyl-13-methyl-2,3,4,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-o
l
66464 (8R,9S,10R,13S,14S,17S)-17-ethynyl-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]p
henanthren-17-ol
130191 (8R,9R,10R,14S)-13-ethyl-17-ethynyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthre
n-17-ol
246880 (5S,8S,9S,10S,13S,14S,17S)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[
a]phenanthren-17-ol

internal high similarity DBLink | Rows returned: 0

active | Cluster 2558 | Additional Members: 8 | Rows returned: 2
SPE01500441 0.367647058823529
SPE01500437 0

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