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 |
Species: |
4932 |
Condition: |
wt18h |
Replicates: |
2 |
Raw OD Value: r im |
0.8478±0.0239002 |
Normalized OD Score: sc h |
1.0033±0.0076071 |
Z-Score: |
0.1736±0.213477 |
p-Value: |
0.863692 |
Z-Factor: |
-21.7075 |
Fitness Defect: |
0.1465 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | LATCA | Plate Number and Position: | 5|E3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.00 Celcius | Date: | 2007-02-28 YYYY-MM-DD | Plate CH Control (+): | 0.040475±0.00329 | Plate DMSO Control (-): | 0.82155±0.01844 | Plate Z-Factor: | 0.9047 |
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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: 5 | |
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