| Compound Information | SONAR Target prediction | | Name: | EPICOPROSTEROL | | Unique Identifier: | SPE01504056 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C27H48O | | Molecular Weight: | 341.296 g/mol | | X log p: | 1.606 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C | | Source: | ex mammalian excretions | | Generic_name: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL | | Chemical_iupac_name: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL | | Drug_type: | Experimental | | Drugbank_id: | EXPT00530 | | Logp: | 3.73 | | Drug_category: | Sex Hormone-Binding Globulin inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
HXT1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7168±0.00353553 |
| Normalized OD Score: sc h |
1.0094±0.00906944 |
| Z-Score: |
0.5014±0.487592 |
| p-Value: |
0.636516 |
| Z-Factor: |
-71.6074 |
| Fitness Defect: |
0.4517 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 9|E5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.80 Celcius | | Date: | 2007-11-27 YYYY-MM-DD | | Plate CH Control (+): | 0.040875±0.00078 | | Plate DMSO Control (-): | 0.69245±0.02746 | | Plate Z-Factor: | 0.8388 |
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| 1861897 |
(3R,11R)-tridecane-3,11-diol |
| 1861899 |
(3S,11S)-tridecane-3,11-diol |
| 1896914 |
(1R,2S,3S,4R,6S)-2,3,5,5,6-pentamethylnorbornan-2-ol |
| 1910922 |
(3R)-1-[(1S,6R)-2,2,6-trimethylcyclohexyl]hexan-3-ol |
| 1916293 |
(1S,3S,5R)-3-(2-methylpropyl)-5-propan-2-yl-cyclohexan-1-ol |
| 1916294 |
(1S,3R,5S)-3-(2-methylpropyl)-5-propan-2-yl-cyclohexan-1-ol |
| internal high similarity DBLink | Rows returned: 38 | 1 2 3 4 5 6 7 Next >> |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 7 | 1 2 Next >> |
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