| Compound Information | SONAR Target prediction | | Name: | CHENODIOL | | Unique Identifier: | SPE01500837 | | 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: | human bile | | Reference: | Helv Chim Acta 43: 1595 (1960) | | Therapeutics: | anticholithogenic, antilipemic agent | | 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: |
pdr_yCG196 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3925±0.0502046 |
| Normalized OD Score: sc h |
0.5226±0.0669605 |
| Z-Score: |
-15.9593±2.11832 |
| p-Value: |
0 |
| Z-Factor: |
0.416941 |
| Fitness Defect: |
INF |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 2|E9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.0875±0.00937 | | Plate DMSO Control (-): | 0.9424999999999999±0.02394 | | Plate Z-Factor: | 0.9050 |
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| 7092938 |
(4R)-4-[(3R,5R,7R,8R,9R,10R,13R,14R,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]pentanoate |
| 7092939 |
(4R)-4-[(3R,5R,7R,8R,9R,10R,13R,14R,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 |
| 7092940 |
(4R)-4-[(3R,5R,7R,8R,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]pentanoate |
| 7092941 |
(4R)-4-[(3R,5R,7R,8R,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 |
| 7092942 |
(4R)-4-[(3R,5R,7R,8R,9S,10R,13R,14R,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]pentanoate |
| 7092943 |
(4R)-4-[(3R,5R,7R,8R,9S,10R,13R,14R,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 |
| internal high similarity DBLink | Rows returned: 31 | 1 2 3 4 5 6 Next >> |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 6 | |
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