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: |
BEM2 |
Replicates: |
2 |
Raw OD Value: r im |
0.4939±0.0098995 |
Normalized OD Score: sc h |
1.0026±0.00691253 |
Z-Score: |
-0.5255±0.351787 |
p-Value: |
0.61037 |
Z-Factor: |
-3.79042 |
Fitness Defect: |
0.4937 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 2|H9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.60 Celcius | Date: | 2008-02-05 YYYY-MM-DD | Plate CH Control (+): | 0.0414±0.00041 | Plate DMSO Control (-): | 0.48095±0.01776 | Plate Z-Factor: | 0.9014 |
| png ps pdf |
3303124 |
4-(7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenan thren-17-yl)pentanoic acid |
3376603 |
6-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenant hren-17-yl)-2-methyl-heptanoic acid |
3833347 |
4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phe nanthren-17-yl)pentanoate |
5028301 |
sodium 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phe nanthren-17-yl)pentanoate |
5074751 |
barium(+2) cation; 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenant hren-17-yl)pentanoate |
5122071 |
3-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phe nanthren-17-yl)butanoic acid |
internal high similarity DBLink | Rows returned: 31 | 1 2 3 4 5 6 Next >> |
active | Cluster 2228 | Additional Members: 18 | Rows returned: 6 | |
|