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: |
SLT2 |
Replicates: |
2 |
Raw OD Value: r im |
0.7410±0.0622961 |
Normalized OD Score: sc h |
0.7852±0.0830453 |
Z-Score: |
-10.6056±4.11704 |
p-Value: |
0.00000000000000710666 |
Z-Factor: |
-0.338615 |
Fitness Defect: |
32.5777 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 17|F3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2010-08-10 YYYY-MM-DD | Plate CH Control (+): | 0.09275±0.00330 | Plate DMSO Control (-): | 0.9415±0.02350 | Plate Z-Factor: | 0.8946 |
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7166461 |
n/a |
7177694 |
n/a |
7177695 |
n/a |
7213448 |
(3R,5R,8S,9R,10R,13R,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 |
7213451 |
(3R,5R,8S,9R,10S,13R,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 |
7330579 |
(4R,4aR,6aS,6aR,6bR,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-2,4,5,6,6a,7 ,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
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