Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 201 202 203 204 205 Next >> [205]
Species: 4932
Condition: VPS35
Replicates: 2
Raw OD Value: r im 0.6865±0.00933381
Normalized OD Score: sc h 0.9814±0.00847192
Z-Score: -0.9396±0.442649
p-Value: 0.37063
Z-Factor: -4.70247
Fitness Defect: 0.9926
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:23|H10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2008-02-20 YYYY-MM-DD
Plate CH Control (+):0.0427±0.00226
Plate DMSO Control (-):0.6900499999999999±0.01335
Plate Z-Factor:0.9134
png
ps
pdf

DBLink | Rows returned: 355[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [60]
191501 (3S,8S,9S,10R,13R,14S,17R)-17-(2,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dod
ecahydro-1H-cyclopenta[a]phenanthren-3-ol
191713 (3S,5S,9R,10R,13R,17R)-14-(hydroxymethyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,9,11,
12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
191958 (3S,8S,9S,10R,13R,14S,17R)-17-[(2S)-3-hydroxy-6,6-dimethyl-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
191970 (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-5-hydroxy-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
193567 (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5,6-dimethylhept-5-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
193773 (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5-methylhexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dod
ecahydro-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

Service provided by the Mike Tyers Laboratory