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: |
BIK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.5644±0.0152735 |
Normalized OD Score: sc h |
0.8424±0.0125494 |
Z-Score: |
-6.9079±0.605271 |
p-Value: |
0.0000000000459894 |
Z-Factor: |
0.26223 |
Fitness Defect: |
23.8026 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 7|B7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.80 Celcius | Date: | 2007-11-08 YYYY-MM-DD | Plate CH Control (+): | 0.0406±0.00245 | Plate DMSO Control (-): | 0.663125±0.01695 | Plate Z-Factor: | 0.9134 |
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283661 |
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decalin-2-one |
286105 |
17-hydroxy-7,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3 -one |
287615 |
8-hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-2H-chrysen-1-one |
287616 |
8-hydroxy-10a-methyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12,12a-hexadecahydrochrysen-1-one |
287642 |
8-hydroxy-3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydro-2H-chrysen-1-one |
287692 |
17-hydroxy-7,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3- one |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
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