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Compound InformationSONAR Target prediction
Name:

STIGMASTEROL

Unique Identifier:SPE01504051
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:364.31 g/mol
X log p:7.445  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:5
Canonical Smiles:CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
Class:sterol
Source:soya and calabar beans; widely distributed in plant oils
Generic_name:CHOLESTEROL
Chemical_iupac_name:CHOLESTEROL
Drug_type:Experimental
Kegg_compound_id:C00187
Drugbank_id:EXPT00945
Logp:7.445
Cas_registry_number:57-88-5
Drug_category:Nuclear Receptor Ror-Alpha inhibitor
Organisms_affected:-1

Found: 205 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BIK1
Replicates: 2
Raw OD Value: r im 0.6872±0.00183848
Normalized OD Score: sc h 1.0030±0.00746548
Z-Score: 0.1348±0.328187
p-Value: 0.81812
Z-Factor: -17.8359
Fitness Defect: 0.2007
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|G11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2007-11-08 YYYY-MM-DD
Plate CH Control (+):0.0406±0.00107
Plate DMSO Control (-):0.672175±0.02435
Plate Z-Factor:0.8754
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DBLink | Rows returned: 355[1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [60]
6102286 (3S,8S,9S,10R,13R,14S)-17-[(2R)-2-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,1
6,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
6324940 (3S,8S,10R,13R)-17-[(5S)-5-ethyl-6-methyl-hept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-d
odecahydro-1H-cyclopenta[a]phenanthren-3-ol
6428642 (3S)-10,13-dimethyl-17-[(E)-pent-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]ph
enanthren-3-ol
6428659 (3S)-17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta
[a]phenanthren-3-ol
6428671 (3S)-10,13-dimethyl-17-(6-methyl-5-methylidene-heptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H
-cyclopenta[a]phenanthren-3-ol
6428685 (3S,4R)-4,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopen
ta[a]phenanthren-3-ol

internal high similarity DBLink | Rows returned: 82 Next >> 
SB 01792 0.9189
SPE00201697 0.9189
SPE00240449 0.9189
SPE00240470 0.9189
SPE01500843 0.9189
SPE00307057 0.9231

active | Cluster 17506 | Additional Members: 20 | Rows returned: 4
SPE00270090 0.529411764705882
SPE00270083 0.402597402597403
SPE01500849 0.354430379746835
SPE00270043 0.315068493150685

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