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: |
CDC73 |
Replicates: |
2 |
Raw OD Value: r im |
0.2455±0.020294 |
Normalized OD Score: sc h |
0.5888±0.03799 |
Z-Score: |
-10.3459±0.413928 |
p-Value: |
4.45626e-24 |
Z-Factor: |
-0.00211622 |
Fitness Defect: |
53.7677 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 7|B7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.70 Celcius | Date: | 2007-09-19 YYYY-MM-DD | Plate CH Control (+): | 0.040499999999999994±0.00049 | Plate DMSO Control (-): | 0.404±0.03840 | Plate Z-Factor: | 0.6667 |
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225748 |
n/a |
227058 |
17-ethyl-17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren- 3-one |
228491 |
1-[(3S,5R,8R,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahyd ro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
232989 |
(2R,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro -1H-cyclopenta[a]phenanthren-3-one |
234464 |
(3S,5S,8R,9S,10S,13R,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclop enta[a]phenanthren-16-one |
235676 |
(5R,6R,8R,9S,10S,13S,14S,17S)-17-hydroxy-6,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahy drocyclopenta[a]phenanthren-3-one |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
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