Compound Information | SONAR Target prediction | Name: | Beta-sistosterol | Unique Identifier: | Prest11 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C29H50O | Molecular Weight: | 368.341 g/mol | X log p: | 3.607 (online calculus) | Lipinksi Failures | 0 | TPSA | 0 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 1 | Rotatable Bond Count: | 6 | Canonical Smiles: | CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C | 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: |
9606 |
Condition: |
TMPPre001 |
Replicates: |
2 |
Raw OD Value: r im |
944.0000±0 |
Normalized OD Score: sc h |
1.0701±0 |
Z-Score: |
1.5808±0 |
p-Value: |
0.113932 |
Z-Factor: |
-24.346 |
Fitness Defect: |
2.1722 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Prestwick | Plate Number and Position: | 13|C6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 0 nm | Robot Temperature: | 23.50 Celcius | Date: | 2006-10-10 YYYY-MM-DD | Plate CH Control (+): | 727.5±605.08760 | Plate DMSO Control (-): | 773±261.27974 | Plate Z-Factor: | -83.4256 |
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194180 |
(3S,5S,9R,10R,13R,15S,17R)-14-ethyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,9,11,12,15, 16,17-dodecahydrocyclopenta[a]phenanthrene-3,15-diol |
194249 |
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-[(1S,2R)-2-methylcyclopropyl]hexan-2-yl]-2,3,4,7 ,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
195707 |
n/a |
196653 |
(3S,5S,9R,10R,13R,14S,17R)-10,13,15-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,9,11,12,14,16,17 -dodecahydrocyclopenta[a]phenanthrene-3,15-diol |
196655 |
(3S,10S,13R,14S,17R)-14-(hydroxymethyl)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7 ,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
222284 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-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 |
internal high similarity DBLink | Rows returned: 0 | |
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