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: |
ARF1 |
Replicates: |
2 |
Raw OD Value: r im |
0.5316±0.00296985 |
Normalized OD Score: sc h |
0.8376±0.00411238 |
Z-Score: |
-7.8662±0.22512 |
p-Value: |
0.0000000000000069468 |
Z-Factor: |
0.036774 |
Fitness Defect: |
32.6005 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 7|B7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.30 Celcius | Date: | 2007-10-02 YYYY-MM-DD | Plate CH Control (+): | 0.041425000000000003±0.00098 | Plate DMSO Control (-): | 0.64175±0.02934 | Plate Z-Factor: | 0.8538 |
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2748100 |
1-(17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthre n-3-yl)ethanone |
2748130 |
(3R)-3-hydroxy-5,10,13-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17 -one |
2748143 |
(17R)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren -3-one |
2748184 |
(5S)-14-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-on e |
2748189 |
(5R,14R)-14-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren- 3-one |
2748238 |
1-[(5S)-17-hydroxy-5,10,13-trimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenan thren-3-yl]ethanone |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
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