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Compound Information
SONAR Target prediction
Name:
Cholesterol
Unique Identifier:
LAT005E03
MolClass:
Checkout models in
ver1.5
and
ver1.0
Molecular Formula:
C27H46O
Molecular Weight:
343.312 g/mol
X log p:
3.269
(online calculus)
Lipinksi Failures
0
TPSA
0
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptors Count:
1
Rotatable Bond Count:
5
Canonical Smiles:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
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: 5 nonactive as graph:
single
|
with analogs
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1
2
3
4
5
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Species:
4932
Condition:
pdr24h
Replicates:
2
Raw OD Value:
r
im
0.6951±0.00742462
Normalized OD Score:
sc
h
1.0098±0.00203581
Z-Score:
0.5198±0.0802942
p-Value:
0.603774
Z-Factor:
-5.8409
Fitness Defect:
0.5046
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
LATCA
Plate Number and Position:
5|E3
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
27.10 Celcius
Date:
2007-03-08 YYYY-MM-DD
Plate CH Control (+):
0.040499999999999994±0.00175
Plate DMSO Control (-):
0.6683250000000001±0.02159
Plate Z-Factor:
0.8940
png
ps
pdf
DBLink | Rows returned: 553
[1]
<< Back
91
92
93
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: 5
BIOMOL 418
1.0000
Prest11
1.0000
SPE00107022
1.0000
SPE01500847
1.0000
SPE01504051
1.0000
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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