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 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BNI4
Replicates: 2
Raw OD Value: r im 0.6786±0.00240416
Normalized OD Score: sc h 1.0166±0.00435548
Z-Score: 0.5099±0.0943344
p-Value: 0.610906
Z-Factor: -1.76225
Fitness Defect: 0.4928
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|G11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2006-03-22 YYYY-MM-DD
Plate CH Control (+):0.0395±0.00023
Plate DMSO Control (-):0.6830499999999999±0.00838
Plate Z-Factor:0.9530
png
ps
pdf

DBLink | Rows returned: 355[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [60]
129371 (3S,8R,9S,10R,13R,14S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,9,11,12,15,16,1
7-decahydro-1H-cyclopenta[a]phenanthren-3-ol
134853 (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-4-(2-methylcyclopropyl)butan-2-yl]-2,3,4,7,8,9,11,12,14,
15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
150271 (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-hydroxypentan-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
150873 (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cy
clopenta[a]phenanthren-3-ol
150900 (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
150918 (8S,9S,10R,13S,14S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-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

Service provided by the Mike Tyers Laboratory