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: |
YPT6 |
Replicates: |
2 |
Raw OD Value: r im |
0.4326±0.00898026 |
Normalized OD Score: sc h |
0.7778±0.0108998 |
Z-Score: |
-6.2171±0.313203 |
p-Value: |
0.00000000107414 |
Z-Factor: |
0.570137 |
Fitness Defect: |
20.6517 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 9|G10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.50 Celcius | Date: | 2008-06-05 YYYY-MM-DD | Plate CH Control (+): | 0.04085±0.00043 | Plate DMSO Control (-): | 0.53375±0.01083 | Plate Z-Factor: | 0.9136 |
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572822 |
3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclope nta[a]phenanthren-11-one |
573890 |
3-(4-hydroxybutyl)-2-methyl-cyclohexan-1-one |
579303 |
n/a |
588284 |
11-(hydroxymethyl)-4,4a,6a,6b,8a,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro- 1H-picen-3-one |
597906 |
n/a |
605178 |
10-hydroxy-1,2,4a,6a,6b,9,9,12a-octamethyl-1,2,3,4,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicen -5-one |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 17389 | Additional Members: 4 | Rows returned: 1 | |
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