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: |
TMPPre002 |
Replicates: |
2 |
Raw OD Value: r im |
6282.5000±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 |
| png ps pdf |
6710666 |
(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cy clopenta[a]phenanthren-3-ol |
6711714 |
(3S,8S,10R,13R,17R)-17-[(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 |
6857781 |
(3S,10R,13R,17R)-17-[(E,2S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,1 7-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
6916037 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2S,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 |
6957590 |
(3R,8R,9S,10R,13R,14S,17R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phen anthrene-3,17-diol |
6992050 |
(3R,8R,9S,10R,13R,14S,17S)-17-[(E,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 |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 17506 | Additional Members: 20 | Rows returned: 4 | |
|