| Compound Information | SONAR Target prediction | | Name: | Cholesterol | | Unique Identifier: | LAT005E03 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C27H46O | | Molecular Weight: | 343.312 g/mol | | X log p: | 3.269 (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 | | 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: |
pdr18h |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6367±0.0259508 |
| Normalized OD Score: sc h |
1.0287±0.00889525 |
| Z-Score: |
0.9436±0.183737 |
| p-Value: |
0.349442 |
| Z-Factor: |
-2.0276 |
| Fitness Defect: |
1.0514 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | LATCA | | Plate Number and Position: | 5|E3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.30 Celcius | | Date: | 2007-03-08 YYYY-MM-DD | | Plate CH Control (+): | 0.03955±0.00176 | | Plate DMSO Control (-): | 0.609±0.01750 | | Plate Z-Factor: | 0.8850 |
|  png
ps
pdf |
| 11870456 |
(3S,8R,9R,10R,13R,14R,17R)-17-[(2R,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 |
| 11870462 |
(3S,8R,9R,10R,13S,14S,17R)-17-[(E,2S,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 |
| 11870463 |
(3S,8R,9R,10R,13S,14R,17R)-17-[(E,2S,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 |
| 11870464 |
(3R,8S,9R,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 |
| 11870465 |
(3R,8S,9R,10R,13R,14R,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 |
| 11870466 |
(3R,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 |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 17506 | Additional Members: 20 | Rows returned: 4 | |
|
