Compound Information | SONAR Target prediction | Name: | URSODIOL | Unique Identifier: | SPE01500605 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 353.262 g/mol | X log p: | -0.613 (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 | Class: | sterol | Source: | bear bile | Reference: | Hoppe Seyler-s Z Physiol Chem 244:181 (1936); Drugs 21:90 (1981); Gastroenterology 91:1007 (1986) | Therapeutics: | anticholelithogenic; LD50(rat) 890 mg/kg ip | 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: |
4932 |
Condition: |
RGP1 |
Replicates: |
2 |
Raw OD Value: r im |
0.3439±0.00346482 |
Normalized OD Score: sc h |
0.8206±0.0192805 |
Z-Score: |
-4.6878±0.565403 |
p-Value: |
0.00000919452 |
Z-Factor: |
0.211589 |
Fitness Defect: |
11.5969 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 2|H9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.00 Celcius | Date: | 2008-06-26 YYYY-MM-DD | Plate CH Control (+): | 0.040124999999999994±0.00024 | Plate DMSO Control (-): | 0.40527500000000005±0.01067 | Plate Z-Factor: | 0.8871 |
| png ps pdf |
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: 31 | << Back 1 2 3 4 5 6 |
active | Cluster 2228 | Additional Members: 18 | Rows returned: 6 | |
|