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Compound InformationSONAR Target prediction
Name:

DIHYDROXY (3alpha,12alpha)PREGNAN-20-ONE

Unique Identifier:SPE00100652
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:300.223 g/mol
X log p:-0.683  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:1
Canonical Smiles:CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C21C
Class:sterol
Source:semisynthetic

Found: 203 nonactive | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [203]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7021±0.0147078
Normalized OD Score: sc h 1.0133±0.0257004
Z-Score: 0.7133±1.38545
p-Value: 0.440224
Z-Factor: -13.3601
Fitness Defect: 0.8205
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.60 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.042025±0.00108
Plate DMSO Control (-):0.679925±0.04700
Plate Z-Factor:0.6990
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DBLink | Rows returned: 130[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [22]
4458722 4-hydroxy-2,5-ditert-butyl-cyclohexan-1-one
4576916 6,12-dihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3
-one
4579738 n/a
4665959 17-hydroxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
5068919 3,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6
-one
5340971 1-[(2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]propan-2-one

internal high similarity DBLink | Rows returned: 3
JFD 02336 1.0000
SPE00270083 1.0000
SPE00300110 1.0000

active | Cluster 17389 | Additional Members: 4 | Rows returned: 1
SPE00100303 0

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