| Compound Information | SONAR Target prediction | | Name: | CHOLIC ACID | | Unique Identifier: | SPE01500840 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 369.262 g/mol | | X log p: | -1.532 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CC(CCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C | | Class: | sterol | | Source: | mammalian bile | | Reference: | Biochem J 85: 236 (1962) | | 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: |
CIN2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7841±0.0207889 |
| Normalized OD Score: sc h |
1.0141±0.0165306 |
| Z-Score: |
0.8028±0.945012 |
| p-Value: |
0.517134 |
| Z-Factor: |
-4.47575 |
| Fitness Defect: |
0.6595 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 8|E8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.90 Celcius | | Date: | 2006-02-14 YYYY-MM-DD | | Plate CH Control (+): | 0.038849999999999996±0.00167 | | Plate DMSO Control (-): | 0.75345±0.00933 | | Plate Z-Factor: | 0.9581 |
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ps
pdf |
| 637625 |
(4S)-4-[(3S,5R,7S,8R,9S,10S,12S,13R,14S,17S)-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 |
| 637631 |
(4S)-4-[(3S,5R,7S,8S,9S,10R,13R,14S,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]pentanoic acid |
| 1762378 |
(4R)-4-[(3S,5S,7S,8R,9S,10S,12R,13R,14S,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 |
| 2734989 |
sodium
(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,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]pentanoate |
| 2754308 |
(4S)-4-[(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]pentanoic acid |
| 3032428 |
(4S)-4-[(3S,7S,9R,14R,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]pentanoic acid |
| internal high similarity DBLink | Rows returned: 31 | 1 2 3 4 5 6 Next >> |
| active | Cluster 10691 | Additional Members: 8 | Rows returned: 0 | |
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