| 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: |
CLN3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7394±0.00954594 |
| Normalized OD Score: sc h |
1.0780±0.00650984 |
| Z-Score: |
2.7319±0.670396 |
| p-Value: |
0.012649 |
| Z-Factor: |
-1.09941 |
| Fitness Defect: |
4.3702 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 12|B8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.90 Celcius | | Date: | 2005-05-08 YYYY-MM-DD | | Plate CH Control (+): | 0.049100000000000005±0.00228 | | Plate DMSO Control (-): | 0.69205±0.05303 | | Plate Z-Factor: | 0.9134 |
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| 4231760 |
2-hydroxy-2-methyl-4-tert-butyl-cyclohexan-1-one |
| 4286359 |
3-acetyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-1
7-one |
| 4308580 |
1-(1-adamantyl)-2-hydroxy-propan-1-one |
| 4577356 |
2-hydroxycyclohexadecan-1-one |
| 4614436 |
1-(17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-
yl)ethanone |
| 4662618 |
1-cyclohexyl-1-hydroxy-propan-2-one |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 17389 | Additional Members: 4 | Rows returned: 2 | |
|
