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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 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.9065±0.0189505
Normalized OD Score: sc h 1.0126±0.0056701
Z-Score: 0.7760±0.0970815
p-Value: 0.438826
Z-Factor: -0.49781
Fitness Defect: 0.8237
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:2|F3
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09300000000000001±0.00526
Plate DMSO Control (-):0.94575±0.01308
Plate Z-Factor:0.9370
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DBLink | Rows returned: 355[1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [60]
633422 10,13-dimethyl-17-(6-methylhept-1-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phe
nanthren-3-ol
633509 6,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phe
nanthren-3-ol
633942 17-(6-hydroxy-5,6-dimethyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cycl
openta[a]phenanthren-3-ol
634335 17-(5,6-dimethylhept-5-en-2-yl)-4,10,13,14-tetramethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopent
a[a]phenanthren-3-ol
634340 4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phe
nanthrene-3,11-diol
634657 4,4,9,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,10,11,12,15,16,17-decahydro-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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