| Compound Information | SONAR Target prediction | | Name: | EPIANDROSTERONE | | Unique Identifier: | SPE00310009 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 261.21 g/mol | | X log p: | -0.512 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC12CCC(O)CC1CCC1C2CCC2(C)C1CCC2=O | | Class: | sterol | | Source: | in normal human urine | | Reference: | J Am Chem Soc 75: 2275 (9153) | | Generic_name: | AETIOCHOLANOLONE | | Chemical_iupac_name: | AETIOCHOLANOLONE | | Drug_type: | Experimental | | Drugbank_id: | EXPT00443 | | Drug_category: | Alcohol Sulfotransferase inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
CIN8 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7003±0.0413657 |
| Normalized OD Score: sc h |
0.9079±0.0473806 |
| Z-Score: |
-5.0053±2.51212 |
| p-Value: |
0.000621156 |
| Z-Factor: |
-1.05358 |
| Fitness Defect: |
7.3839 |
| Bioactivity Statement: |
Outlier |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 16|E8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.00 Celcius | | Date: | 2008-02-06 YYYY-MM-DD | | Plate CH Control (+): | 0.041475±0.00061 | | Plate DMSO Control (-): | 0.6406499999999999±0.02050 | | Plate Z-Factor: | 0.8939 |
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ps
pdf |
| 247863 |
(2R,3S,5S,8S,9S,10S,13S,14S)-3-hydroxy-2,10,13-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydro
cyclopenta[a]phenanthren-17-one |
| 250212 |
17-hydroxy-4,4,10,13,14-pentamethyl-1,2,5,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-o
ne |
| 250214 |
1-[(3S,5S,8R,9S,10S,13R,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecah
ydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
| 252049 |
n/a |
| 255701 |
(4S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-4,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro
-1H-cyclopenta[a]phenanthren-3-one |
| 257410 |
n/a |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
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