Compound Information | SONAR Target prediction | Name: | STIGMASTEROL | Unique Identifier: | SPE01504051 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 364.31 g/mol | X log p: | 7.445 (online calculus) | Lipinksi Failures | 1 | TPSA | 0 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 1 | Rotatable Bond Count: | 5 | Canonical Smiles: | CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C | Class: | sterol | Source: | soya and calabar beans; widely distributed in plant oils | 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: |
BRE1 |
Replicates: |
2 |
Raw OD Value: r im |
0.5057±0.00346482 |
Normalized OD Score: sc h |
0.9921±0.0137938 |
Z-Score: |
-0.1484±0.256326 |
p-Value: |
0.85773 |
Z-Factor: |
-19.7505 |
Fitness Defect: |
0.1535 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 5|G11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.60 Celcius | Date: | 2006-03-16 YYYY-MM-DD | Plate CH Control (+): | 0.0402±0.00069 | Plate DMSO Control (-): | 0.5347999999999999±0.02235 | Plate Z-Factor: | 0.8440 |
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3247051 |
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-7,7,7-trideuterio-6-hydroxy-6-methyl-heptan-2-yl]-2,3 ,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
3311961 |
17-(5,6-dimethylhept-3-en-2-yl)-9,10,13-trimethyl-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a] phenanthrene-3,11-diol |
3367711 |
17-(2-hydroxy-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopen ta[a]phenanthren-3-ol |
3427370 |
3,10,13-trimethyl-17-(6-methylheptan-2-yl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenant hren-3-ol |
3434836 |
n/a |
3472316 |
17-(3-hydroxy-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopen ta[a]phenanthren-3-ol |
internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
active | Cluster 17506 | Additional Members: 20 | Rows returned: 4 | |
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