| Compound Information | SONAR Target prediction | | Name: | Pregnenolone sulfate sodium | | Unique Identifier: | LOPAC 00530 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C21H31NaO5S | | Molecular Weight: | 387.277 g/mol | | X log p: | 0.448 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 91.88 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 3 | | Canonical Smiles: | [Na+].[O-]S(=O)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(C)=O)C3CC=C2C1 | | Class: | GABA | | Action: | Antagonist | | Selectivity: | GABA-A |
| Species: |
4932 |
| Condition: |
WHI5 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6008±0.00219203 |
| Normalized OD Score: sc h |
0.9750±0.00612353 |
| Z-Score: |
-0.7442±0.0943097 |
| p-Value: |
0.45777 |
| Z-Factor: |
-21.7958 |
| Fitness Defect: |
0.7814 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 13|A9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 0.00 Celcius | | Date: | 2005-04-20 YYYY-MM-DD | | Plate CH Control (+): | 0.046475±0.00089 | | Plate DMSO Control (-): | 0.660975±0.05638 | | Plate Z-Factor: | 0.7296 |
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| 6604147 |
(3R,8S,9S,10S,13S,14R,17R)-17-acetyl-10,13-dimethyl-3-sulfooxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro
-1H-cyclopenta[a]phenanthrene |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 7902 | Additional Members: 9 | Rows returned: 4 | |
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