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: |
ESC2 |
Replicates: |
2 |
Raw OD Value: r im |
0.4790±0.000777817 |
Normalized OD Score: sc h |
1.0062±0.0609786 |
Z-Score: |
0.2550±1.90858 |
p-Value: |
0.191143 |
Z-Factor: |
-55.0129 |
Fitness Defect: |
1.6547 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 13|A9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 28.30 Celcius | Date: | 2005-11-25 YYYY-MM-DD | Plate CH Control (+): | 0.039875±0.00165 | Plate DMSO Control (-): | 0.45115±0.02540 | Plate Z-Factor: | 0.7727 |
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4902 |
17-acetyl-10,13-dimethyl-3-sulfonatooxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenan threne |
4903 |
17-acetyl-10,13-dimethyl-3-sulfooxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthre ne |
5244 |
10,13-dimethyl-17-oxo-3-sulfooxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene |
12594 |
(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-3-sulfooxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopen ta[a]phenanthrene |
14193 |
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 |
83891 |
(8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-3-sulfooxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[ a]phenanthrene |
internal high similarity DBLink | Rows returned: 0 | |
nonactive | Cluster 7902 | Additional Members: 9 | Rows returned: 6 | |
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