Compound Information | SONAR Target prediction | Name: | Urosiol | Unique Identifier: | Prest256 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C24H40O4 | Molecular Weight: | 357.294 g/mol | X log p: | -0.305 (online calculus) | Lipinksi Failures | 0 | TPSA | 17.07 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 4 | Rotatable Bond Count: | 4 | Canonical Smiles: | CC(CCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C | Generic_name: | CHOLIC ACID | Chemical_iupac_name: | CHOLIC ACID | Drug_type: | Experimental | Kegg_compound_id: | C00695 | Drugbank_id: | EXPT00906 | Logp: | 2.818 | Cas_registry_number: | 81-25-4 | Drug_category: | Estrogen-Related Receptor Gamma inhibitor | Organisms_affected: | -1 |
Species: |
9606 |
Condition: |
TMPPre001 |
Replicates: |
2 |
Raw OD Value: r im |
1124.0000±0 |
Normalized OD Score: sc h |
1.2152±0 |
Z-Score: |
4.8498±0 |
p-Value: |
0.00000123608 |
Z-Factor: |
-3.92867 |
Fitness Defect: |
13.6036 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Prestwick | Plate Number and Position: | 12|H9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 0 nm | Robot Temperature: | 23.30 Celcius | Date: | 2006-10-10 YYYY-MM-DD | Plate CH Control (+): | 758.5±653.58671 | Plate DMSO Control (-): | 822.5±277.54018 | Plate Z-Factor: | -66.6597 |
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3035564 |
2-[(3R,5S,7S,10R,13R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro- 1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-cyclopropane-1-carboxylic acid |
3037037 |
(4R)-4-[(3R,5S,7S,10R,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecah ydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
3081208 |
(4R)-4-[(3R,5S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17- tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid; 5-methyl-2-propan-2-yl-cyclohexan-1-ol |
3085202 |
3-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetrade cahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid |
3086223 |
(3R)-3-[(3R,5S,7R,10R,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecah ydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid |
3246132 |
(4R)-4-[(3S,5R,7S,8R,9R,10R,12R,13S,14R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,1 5,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
internal high similarity DBLink | Rows returned: 0 | |
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