Compound Information | SONAR Target prediction | Name: | Glycocholic acid | Unique Identifier: | Prest768 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C26H43NO6 | Molecular Weight: | 426.313 g/mol | X log p: | -1.652 (online calculus) | Lipinksi Failures | 0 | TPSA | 34.14 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 7 | Rotatable Bond Count: | 7 | Canonical Smiles: | CC(CCC(=O)NCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C | Generic_name: | GLYCOCHENODEOXYCHOLIC ACID | Chemical_iupac_name: | GLYCOCHENODEOXYCHOLIC ACID | Drug_type: | Experimental | Drugbank_id: | EXPT00909 | Logp: | 3.7 | Drug_category: | 7 Alpha-Hydroxysteroid Dehydrogenase inhibitor | Organisms_affected: | -1 |
Species: |
9606 |
Condition: |
TMPPre003 |
Replicates: |
2 |
Raw OD Value: r im |
18675.0000±0 |
Normalized OD Score: sc h |
1.0211±0 |
Z-Score: |
0.5873±0 |
p-Value: |
0.556976 |
Z-Factor: |
-5.58155 |
Fitness Defect: |
0.5852 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Prestwick | Plate Number and Position: | 7|E2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 0 nm | Robot Temperature: | 24.10 Celcius | Date: | 2006-10-10 YYYY-MM-DD | Plate CH Control (+): | 18050±2247.77104 | Plate DMSO Control (-): | 18225±2038.51752 | Plate Z-Factor: | -32.1903 |
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440686 |
2-[4-[(3R,5S,7R,10R,13R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1 H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]acetic acid |
2734705 |
sodium 2-[[(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, 14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate |
2738134 |
sodium 2-[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] phenanthren-17-yl)pentanoylamino]acetate hydrate |
2807129 |
sodium 2-[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]phen anthren-17-yl)pentanoylamino]acetate |
3462523 |
2-[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]phen anthren-17-yl)pentanoylamino]acetate |
3841386 |
2-[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] phenanthren-17-yl)pentanoylamino]acetate |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 10691 | Additional Members: 8 | Rows returned: 0 | |
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