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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86576 |
17-(5,6-dimethylhept-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 |
86747 |
10,13-dimethyl-17-(5-propan-2-ylhept-5-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[ a]phenanthren-3-ol |
86821 |
17-(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 |
92113 |
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-2,3,4,7,8,9,11,12 ,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
94194 |
(3S,8S,9S,10R,13R,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro- 1H-cyclopenta[a]phenanthren-3-ol |
94334 |
(1S,4S)-1,4,8,8-tetramethylbicyclo[5.4.0]undec-6-en-4-ol |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 17506 | Additional Members: 20 | Rows returned: 4 | |
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