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Compound InformationSONAR Target prediction
Name:

SITOSTEROL, beta -

Unique Identifier:BIOMOL 418
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C29H50O
Molecular Weight:367.334 g/mol
X log p:3.53  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:6
Canonical Smiles:CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
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: 0 nonactive as graph: single | with analogs
Species:
Condition:
Replicates:
Raw OD Value: r im ±
Normalized OD Score: sc h ±
Z-Score: ±
p-Value:
Z-Factor:
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:
Plate Number and Position:|
Drug Concentration: nM
OD Absorbance: nm
Robot Temperature: Celcius
Date: YYYY-MM-DD
Plate CH Control (+):±
Plate DMSO Control (-):±
Plate Z-Factor:
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DBLink | Rows returned: 355[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [60]
556564 4a-methyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol
556731 1,2,3,3a,4,6a-hexahydropentalen-1-ol
562328 n/a
572104 17-(5-hydroxy-5-methyl-hexan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent
a[a]phenanthren-3-ol
573923 2-(1-cyclopent-2-enyl)norbornan-2-ol
579641 2-(2-ethyl-1,3-dimethyl-1-cyclopent-2-enyl)propan-2-ol

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 17506 | Additional Members: 20 | Rows returned: 102 Next >> 
SPE00270090 0.529411764705882
SPE01500854 0.416666666666667
SPE00270083 0.402597402597403
SPE01500849 0.354430379746835
SPE01504051 0.345679012345679
SPE00270043 0.315068493150685

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