| 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 |
| Found: 3 nonactive as graph: single | with analogs | 1 2 3 Next >> |
| 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 |
| ps |
| DBLink | Rows returned: 25 | << Back 1 2 3 4 5 |
| 6604253 | 2-[[(4R)-4-[(3S,5R,7S,8R,9R,10R,12R,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]acetic acid |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 10691 | Additional Members: 8 | Rows returned: 0 |
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