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Compound InformationSONAR Target prediction
Name:

CHOLESTEROL

Unique Identifier:SPE01500847
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:340.288 g/mol
X log p:3.038  (online calculus)
Lipinksi Failures0
TPSA0
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
Class:sterol
Source:common animal sterol
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 201 202 203 204 205 Next >> [205]
Species: 4932
Condition: VPH1
Replicates: 2
Raw OD Value: r im 0.4000±0.0113137
Normalized OD Score: sc h 0.9011±0.00199107
Z-Score: -1.7907±0.140401
p-Value: 0.0747652
Z-Factor: -0.592021
Fitness Defect: 2.5934
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|A10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2008-03-01 YYYY-MM-DD
Plate CH Control (+):0.0404±0.00186
Plate DMSO Control (-):0.40549999999999997±0.02142
Plate Z-Factor:0.7464
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DBLink | Rows returned: 3552 3 4 5 6 7 8 9 10  Next >> [60]
304 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenan
thren-3-ol
5997 (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-do
decahydro-1H-cyclopenta[a]phenanthren-3-ol
6744 (3S,8S,9S,10R,13R,14S,17R)-17-[(2S,5S)-5-ethyl-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
6745 (3S)-17-[(5S)-5-ethyl-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
6746 (3S,8S,9S,10R,13R,14S,17R)-17-[(2S,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12
,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
9401 (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-(6-methylhept-5-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dode
cahydro-1H-cyclopenta[a]phenanthren-3-ol

internal high similarity DBLink | Rows returned: 8<< Back 1 2
SPE00107022 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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