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: |
CIN2 |
Replicates: |
2 |
Raw OD Value: r im |
0.8465±0.00721249 |
Normalized OD Score: sc h |
1.0321±0.000403477 |
Z-Score: |
2.4481±0.272031 |
p-Value: |
0.0161815 |
Z-Factor: |
-0.657992 |
Fitness Defect: |
4.1239 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 12|B8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.90 Celcius | Date: | 2005-12-07 YYYY-MM-DD | Plate CH Control (+): | 0.03895±0.00095 | Plate DMSO Control (-): | 0.803575±0.01339 | Plate Z-Factor: | 0.9289 |
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257630 |
(5R,8R,9S,10S,13R,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetrade cahydrocyclopenta[a]phenanthren-3-one |
259753 |
2-hydroxycyclodecan-1-one |
267196 |
2-hydroxycyclononan-1-one |
270840 |
2-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]p henanthren-17-yl)ethanone |
271910 |
2-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-pice n-3-one |
273570 |
n/a |
internal high similarity DBLink | Rows returned: 1 | |
active | Cluster 17389 | Additional Members: 4 | Rows returned: 2 | |
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