| 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: |
WHI3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6933±0.0443356 |
| Normalized OD Score: sc h |
1.0043±0.0285047 |
| Z-Score: |
0.0201±1.06907 |
| p-Value: |
0.449772 |
| Z-Factor: |
-12.7 |
| Fitness Defect: |
0.799 |
| 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 (+): | 0.044950000000000004±0.00139 | | Plate DMSO Control (-): | 0.652775±0.04125 | | Plate Z-Factor: | 0.8415 |
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ps
pdf |
| 105074 |
(3S,8S,9S,10R,13R,14S,17S)-17-acetyl-10,13-dimethyl-3-sulfooxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro
-1H-cyclopenta[a]phenanthrene |
| 135336 |
sodium
(3S,10R,13S)-10,13-dimethyl-17-oxo-3-sulfonatooxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]p
henanthrene dihydrate |
| 135337 |
(3S,10R,13S)-10,13-dimethyl-17-oxo-3-sulfooxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phena
nthrene |
| 444003 |
sodium
(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-3-sulfonatooxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocycl
openta[a]phenanthrene dihydrate |
| 4118014 |
10,13-dimethyl-17-oxo-3-sulfonatooxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene |
| 5175680 |
sodium
10,13-dimethyl-17-oxo-3-sulfonatooxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 7902 | Additional Members: 9 | Rows returned: 4 | |
|
