Compound Information | SONAR Target prediction | Name: | beta-SITOSTEROL | Unique Identifier: | SPE00107022 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 364.31 g/mol | X log p: | 3.299 (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 | Class: | sterol | Source: | widespread in plants | Reference: | J Am Chem Soc 48: 2987 (1926) | 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: |
BIK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6875±0.0122329 |
Normalized OD Score: sc h |
0.9989±0.00680622 |
Z-Score: |
-0.0468±0.297844 |
p-Value: |
0.833374 |
Z-Factor: |
-14.7184 |
Fitness Defect: |
0.1823 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 2|G6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 22.50 Celcius | Date: | 2007-11-08 YYYY-MM-DD | Plate CH Control (+): | 0.04045±0.00061 | Plate DMSO Control (-): | 0.6766000000000001±0.11851 | Plate Z-Factor: | 0.4158 |
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633422 |
10,13-dimethyl-17-(6-methylhept-1-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phe nanthren-3-ol |
633509 |
6,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phe nanthren-3-ol |
633942 |
17-(6-hydroxy-5,6-dimethyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cycl openta[a]phenanthren-3-ol |
634335 |
17-(5,6-dimethylhept-5-en-2-yl)-4,10,13,14-tetramethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopent a[a]phenanthren-3-ol |
634340 |
4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phe nanthrene-3,11-diol |
634657 |
4,4,9,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[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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