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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 161 162 163 164 165 166 167 168 169 170  Next >> [205]
Species: 4932
Condition: PFK2
Replicates: 2
Raw OD Value: r im 0.4602±0.00275772
Normalized OD Score: sc h 0.9809±0.00363839
Z-Score: -0.6168±0.130298
p-Value: 0.539104
Z-Factor: -10.0988
Fitness Defect: 0.6178
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:23|H10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2008-05-10 YYYY-MM-DD
Plate CH Control (+):0.04045±0.00037
Plate DMSO Control (-):0.46262500000000006±0.03006
Plate Z-Factor:0.7601
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DBLink | Rows returned: 355[1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [60]
6450183 (3S,8S,10R,13R,14S,17R)-17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,
16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
6453370 (3S,8R,9S,10R,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,1
7-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
6453777 (3S,10S,13R,14S,17R)-14-(hydroxymethyl)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11
,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
6454969 (3S,5S,9R,10R,13R,15S,17R)-10,13,14-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,9,11,12,15,16,17
-dodecahydrocyclopenta[a]phenanthrene-3,15-diol
6482590 (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14
,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,
12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
6540511 (3S,8S,10R,13R,17R)-17-[(E,5S)-5-ethyl-6-methyl-hept-3-en-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

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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