| 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: |
CLA4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5736±0.0127279 |
| Normalized OD Score: sc h |
0.8687±0.0160331 |
| Z-Score: |
-5.8017±0.931744 |
| p-Value: |
0.000000135318 |
| Z-Factor: |
-3.16884 |
| Fitness Defect: |
15.8156 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 7|B7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.70 Celcius | | Date: | 2007-09-12 YYYY-MM-DD | | Plate CH Control (+): | 0.03995±0.00138 | | Plate DMSO Control (-): | 0.649±0.08564 | | Plate Z-Factor: | 0.5642 |
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ps
pdf |
| 257629 |
1-[(3S,5R,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-10,13,16-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetr
adecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
| 260690 |
n/a |
| 262961 |
1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren
-17-yl)ethanone |
| 264812 |
6-hydroxycyclodecan-1-one |
| 269123 |
n/a |
| 273381 |
n/a |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
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