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: |
MCM21 |
Replicates: |
2 |
Raw OD Value: r im |
0.5145±0.00749533 |
Normalized OD Score: sc h |
0.7641±0.00415129 |
Z-Score: |
-11.5779±0.415696 |
p-Value: |
7.88732e-30 |
Z-Factor: |
0.640938 |
Fitness Defect: |
67.0123 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 7|B7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.90 Celcius | Date: | 2007-11-07 YYYY-MM-DD | Plate CH Control (+): | 0.040975±0.00078 | Plate DMSO Control (-): | 0.658125±0.01556 | Plate Z-Factor: | 0.9208 |
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7056470 |
(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclop enta[a]phenanthren-17-one |
7056471 |
(3R,5R,8S,9R,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclop enta[a]phenanthren-17-one |
7056472 |
(3R,5R,8S,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclop enta[a]phenanthren-17-one |
7056496 |
(3S,5S,8R,9R,10S,13S,14S)-3-ethyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-c yclopenta[a]phenanthren-17-one |
7056497 |
(3R,5S,8R,9R,10S,13S,14S)-3-ethyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-c yclopenta[a]phenanthren-17-one |
7056498 |
(3S,5S,8S,9R,10S,13S,14S)-3-ethyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-c yclopenta[a]phenanthren-17-one |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
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