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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537619 |
8-hydroxy-5-propan-2-yl-nonan-2-one |
540784 |
6-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenan thren-17-yl)-2-methyl-heptan-3-one |
557102 |
7-(3-hydroxypropyl)norbornan-2-one |
561925 |
3-ethyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17 -one |
565259 |
7-(2-hydroxyethyl)bicyclo[3.2.1]octan-3-one |
565504 |
n/a |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 17389 | Additional Members: 4 | Rows returned: 1 | |
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