Compound Information | SONAR Target prediction | Name: | 3-alpha,21-Dihydroxy-5-alpha-pregnan-20-one | Unique Identifier: | LOPAC 01126 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C21H34O3 | Molecular Weight: | 301.231 g/mol | X log p: | -0.154 (online calculus) | Lipinksi Failures | 0 | TPSA | 17.07 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 3 | Rotatable Bond Count: | 2 | Canonical Smiles: | CC12CCC(O)CC1CCC1C3CCC(C(=O)CO)C3(C)CCC12 | Class: | GABA | Action: | Modulator | Selectivity: | GABA-A |
Species: |
4932 |
Condition: |
GIM3 |
Replicates: |
4 |
Raw OD Value: r im |
0.6122±0.0364486 |
Normalized OD Score: sc h |
1.2933±0.377446 |
Z-Score: |
4.9651±6.14898 |
p-Value: |
0.073543 |
Z-Factor: |
-3.0218 |
Fitness Defect: |
2.6099 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 12|B8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 27.70 Celcius | Date: | 2005-04-08 YYYY-MM-DD | Plate CH Control (+): | 0.0453±0.00117 | Plate DMSO Control (-): | 0.635275±0.14583 | Plate Z-Factor: | 0.0916 |
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543400 |
2-hydroxycyclopentadecan-1-one |
543936 |
1-(3,17-dihydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenant hren-17-yl)ethanone |
545356 |
2-hydroxycyclooctan-1-one |
566013 |
n/a |
574047 |
8a-hydroxydecalin-1-one |
627256 |
17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenant hren-3-one |
internal high similarity DBLink | Rows returned: 1 | |
active | Cluster 17389 | Additional Members: 4 | Rows returned: 2 | |
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