Compound Information | SONAR Target prediction | Name: | ALLOPREGNANOLONE | Unique Identifier: | SPE00100303 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 286.239 g/mol | X log p: | 0.39 (online calculus) | Lipinksi Failures | 0 | TPSA | 17.07 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 2 | Rotatable Bond Count: | 1 | Canonical Smiles: | CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC21C | Class: | sterol | Source: | semisynthetic | Reference: | J Am Chem Soc 59: 616 (1937) | Generic_name: | AETIOCHOLANOLONE | Chemical_iupac_name: | AETIOCHOLANOLONE | Drug_type: | Experimental | Drugbank_id: | EXPT00443 | Drug_category: | Alcohol Sulfotransferase inhibitor | Organisms_affected: | -1 |
Species: |
4932 |
Condition: |
DRS2 |
Replicates: |
2 |
Raw OD Value: r im |
0.5952±0.0222032 |
Normalized OD Score: sc h |
0.8494±0.0157852 |
Z-Score: |
-6.5015±0.665672 |
p-Value: |
0.000000000817384 |
Z-Factor: |
0.270296 |
Fitness Defect: |
20.9249 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 9|G10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.00 Celcius | Date: | 2008-01-11 YYYY-MM-DD | Plate CH Control (+): | 0.041325±0.00041 | Plate DMSO Control (-): | 0.6839500000000001±0.01415 | Plate Z-Factor: | 0.9346 |
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11303 |
(3S,5S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren -17-one |
15020 |
(1S,5S,8S,9S,10S,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahy drocyclopenta[a]phenanthren-3-one |
16067 |
(17S)-17-hydroxy-13,17-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren -3-one |
18650 |
(5R,17S)-17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanth ren-3-one |
22934 |
(5S,17S)-17-hydroxy-13,17-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanth ren-3-one |
25012 |
(4S,5S,17S)-17-hydroxy-4,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]ph enanthren-3-one |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 17389 | Additional Members: 4 | Rows returned: 1 | |
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