| 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: |
TMPPre003 |
| Replicates: |
2 |
| Raw OD Value: r im |
11621.0000±0 |
| Normalized OD Score: sc h |
0.9860±0 |
| Z-Score: |
-0.3905±0 |
| p-Value: |
0.696154 |
| Z-Factor: |
-5.76165 |
| Fitness Defect: |
0.3622 |
| 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 (+): | 22091.5±7532.35178 | | Plate DMSO Control (-): | 12139.5±7461.51552 | | Plate Z-Factor: | -5.4357 |
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| 440136 |
(3S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 440711 |
(3S,8S,9S,10R,13R,14S,17S)-17-[(2R)-2-hydroxy-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 |
| 441827 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,1
5,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 441834 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2S,5R)-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 |
| 457801 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,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 |
| 472766 |
(3S,8S,9R,10S,13R,14S)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,1
7-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 17506 | Additional Members: 20 | Rows returned: 4 | |
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