Compound Information | SONAR Target prediction | Name: | CHOLESTEROL | Unique Identifier: | SPE01500847 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 340.288 g/mol | X log p: | 3.038 (online calculus) | Lipinksi Failures | 0 | TPSA | 0 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 1 | Rotatable Bond Count: | 5 | Canonical Smiles: | CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C | Class: | sterol | Source: | common animal sterol | 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: |
CNB1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6869±0.00120208 |
Normalized OD Score: sc h |
0.9997±0.0115596 |
Z-Score: |
-0.0133±0.433184 |
p-Value: |
0.759392 |
Z-Factor: |
-23.5852 |
Fitness Defect: |
0.2752 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 8|F9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.30 Celcius | Date: | 2006-04-12 YYYY-MM-DD | Plate CH Control (+): | 0.0383±0.00257 | Plate DMSO Control (-): | 0.6535±0.02075 | Plate Z-Factor: | 0.9278 |
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5281326 |
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,1 5,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
5281327 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5R)-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 |
5281328 |
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,1 5,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
5281330 |
(3S,8S,9S,10R,13R,14S,17R)-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 |
5283629 |
(3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-do decahydro-1H-cyclopenta[a]phenanthren-3-ol |
5283635 |
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,1 6,17-dodecahydro-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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