| Compound Information | SONAR Target prediction | | Name: | STIGMASTEROL | | Unique Identifier: | SPE01504051 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 364.31 g/mol | | X log p: | 7.445 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C | | Class: | sterol | | Source: | soya and calabar beans; widely distributed in plant oils | | 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: |
VPS35 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6865±0.00933381 |
| Normalized OD Score: sc h |
0.9814±0.00847192 |
| Z-Score: |
-0.9396±0.442649 |
| p-Value: |
0.37063 |
| Z-Factor: |
-4.70247 |
| Fitness Defect: |
0.9926 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 23|H10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.60 Celcius | | Date: | 2008-02-20 YYYY-MM-DD | | Plate CH Control (+): | 0.0427±0.00226 | | Plate DMSO Control (-): | 0.6900499999999999±0.01335 | | Plate Z-Factor: | 0.9134 |
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ps
pdf |
| 191501 |
(3S,8S,9S,10R,13R,14S,17R)-17-(2,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dod
ecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 191713 |
(3S,5S,9R,10R,13R,17R)-14-(hydroxymethyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,9,11,
12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol |
| 191958 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2S)-3-hydroxy-6,6-dimethyl-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 |
| 191970 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-5-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 |
| 193567 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5,6-dimethylhept-5-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,1
6,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 193773 |
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5-methylhexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dod
ecahydro-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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