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Compound Information
SONAR Target prediction
Name:
Beta-sistosterol
Unique Identifier:
Prest11
MolClass:
Checkout models in
ver1.5
and
ver1.0
Molecular Formula:
C29H50O
Molecular Weight:
368.341 g/mol
X log p:
3.607
(online calculus)
Lipinksi Failures
0
TPSA
0
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: 3 nonactive as graph:
single
|
with analogs
<< Back
1
2
3
Species:
9606
Condition:
TMPPre003
Replicates:
2
Raw OD Value:
r
im
11621.0000±0
Normalized OD Score:
sc
h
0.9860±0
Z-Score:
-0.3905±0
p-Value:
0.696154
Z-Factor:
-5.76165
Fitness Defect:
0.3622
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Prestwick
Plate Number and Position:
13|C6
Drug Concentration:
50.00 nM
OD Absorbance:
0 nm
Robot Temperature:
23.50 Celcius
Date:
2006-10-10 YYYY-MM-DD
Plate CH Control (+):
22091.5±7532.35178
Plate DMSO Control (-):
12139.5±7461.51552
Plate Z-Factor:
-5.4357
png
ps
pdf
DBLink | Rows returned: 355
[1]
<< Back
51
52
53
54
55
56
57
58
59
60
16064713
(8S,9S,10R,13R,14S,17R)-17-[(2R)-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
internal high similarity DBLink | Rows returned: 0
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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