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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
<< Back
1
2
3
4
5
Species:
4932
Condition:
wt24h
Replicates:
2
Raw OD Value:
r
im
0.8002±0.00565685
Normalized OD Score:
sc
h
1.0069±0.000529751
Z-Score:
0.4975±0.117862
p-Value:
0.62002
Z-Factor:
-10.695
Fitness Defect:
0.478
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
LATCA
Plate Number and Position:
5|E3
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
25.40 Celcius
Date:
2007-02-28 YYYY-MM-DD
Plate CH Control (+):
0.040275000000000005±0.00247
Plate DMSO Control (-):
0.776525±0.01260
Plate Z-Factor:
0.9506
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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Mike Tyers Laboratory