| 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: |
TMPPre001 |
| Replicates: |
2 |
| Raw OD Value: r im |
2152.0000±0 |
| Normalized OD Score: sc h |
1.0451±0 |
| Z-Score: |
1.0156±0 |
| p-Value: |
0.309836 |
| Z-Factor: |
-4.31859 |
| Fitness Defect: |
1.1717 |
| 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 (+): | 951.5±923.27222 | | Plate DMSO Control (-): | 2006±543.99595 | | Plate Z-Factor: | -4.4324 |
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ps
pdf |
| 93353 |
2-[[(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-tetrad
ecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid |
| 125082 |
2-[methyl-[(4R)-4-[(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-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid |
| 145885 |
2-[[(4R)-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-tetrad
ecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]-methyl-amino]acetic acid |
| 145886 |
2-[[(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-tetrad
ecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]-methyl-amino]acetic acid |
| 154095 |
azane; platinum(+2) cation;
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; chloride |
| 439604 |
2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S)-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]pentanoyl]amino]acetic acid |
| internal high similarity DBLink | Rows returned: 0 | |
| nonactive | Cluster 10691 | Additional Members: 8 | Rows returned: 4 | |
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