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: |
APC9 |
Replicates: |
2 |
Raw OD Value: r im |
0.7246±0.00820244 |
Normalized OD Score: sc h |
1.0005±0.00219749 |
Z-Score: |
0.0255±0.119766 |
p-Value: |
0.932532 |
Z-Factor: |
-14.8678 |
Fitness Defect: |
0.0699 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 1|G10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 21.20 Celcius | Date: | 2007-11-22 YYYY-MM-DD | Plate CH Control (+): | 0.041575±0.00499 | Plate DMSO Control (-): | 0.7029000000000001±0.07674 | Plate Z-Factor: | 0.6152 |
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469742 |
(4R,4aR,6aS,6bR,8aS,11R,14aR)-8a,11-bis(hydroxymethyl)-4,4a,6a,6b,11,14a-hexamethyl-2,4,5,6,6a,7,8,9,10, 12,12a,13,14,14b-tetradecahydro-1H-picen-3-one |
469743 |
(4R,4aR,6aS,6bR,8aS,14aR)-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 |
469745 |
(4R,4aR,6aS,6bR,8R,8aS,14aS)-8-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13, 14,14b-tetradecahydro-1H-picen-3-one |
490365 |
n/a |
521344 |
17-(1-hydroxyethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanth ren-3-one |
523023 |
4-(hydroxymethyl)cyclohexane-1-carbaldehyde |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 17389 | Additional Members: 4 | Rows returned: 1 | |
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