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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 81 82 83 84 85 86 87 88 89 90  Next >> [101]
Species: 4932
Condition: SHM2
Replicates: 2
Raw OD Value: r im 0.8118±0.00240416
Normalized OD Score: sc h 1.0325±0.00189422
Z-Score: 1.2016±0.0263055
p-Value: 0.229602
Z-Factor: -1.17934
Fitness Defect: 1.4714
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:2006-04-08 YYYY-MM-DD
Plate CH Control (+):0.038175±0.00169
Plate DMSO Control (-):0.786175±0.01936
Plate Z-Factor:0.9086
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DBLink | Rows returned: 1448[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [242]
18027 heptadecan-2-one
18067 icosan-3-one
20474 2-ethylcyclohexan-1-one
20959 2-pentylcyclopentan-1-one
21003 2-cyclopentylcyclopentan-1-one
21063 1-[(1R,3S)-3-ethyl-2,2-dimethyl-cyclobutyl]ethanone

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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