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Compound InformationSONAR Target prediction
Name:

CHOLESTAN-3-ONE

Unique Identifier:SPE00270088
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C27H46O
Molecular Weight:341.296 g/mol
X log p:1.754  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:5
Canonical Smiles:CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
Source:ex minor mammalian sterol
Generic_name:5ALPHA-ANDROSTAN-3,17-DIONE
Chemical_iupac_name:5ALPHA-ANDROSTAN-3,17-DIONE
Drug_type:Experimental
Drugbank_id:EXPT00262
Drug_category:Estradiol 17 Beta-Dehydrogenase 1 inhibitor
Organisms_affected:-1

Found: 101 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: ARX1
Replicates: 2
Raw OD Value: r im 0.6870±0.0086267
Normalized OD Score: sc h 1.0183±0.0018189
Z-Score: 0.9059±0.166068
p-Value: 0.368264
Z-Factor: -3.28979
Fitness Defect: 0.999
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2007-10-11 YYYY-MM-DD
Plate CH Control (+):0.039425±0.00139
Plate DMSO Control (-):0.6755249999999999±0.02177
Plate Z-Factor:0.8906
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DBLink | Rows returned: 1448[1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [242]
75189 undecan-3-one
75364 tetradecan-2-one
75458 icosanal
75695 cyclohexadecanone
75997 nonacosan-15-one
76322 3,3-dimethylcyclohexan-1-one

internal high similarity DBLink | Rows returned: 171 2 3 Next >> 
RJC 02257 0.9231
RJC 02979 0.9231
JFD 02406 0.9231
BTBG 00073 0.9231
BTB 14425 0.9231
BTB 13696 0.9231

active | Cluster 5819 | Additional Members: 6 | Rows returned: 0
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