| Compound Information | SONAR Target prediction | | Name: | 5alpha-ANDROSTAN-3,17-DIONE | | Unique Identifier: | SPE00107108 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 261.21 g/mol | | X log p: | -0.364 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 34.14 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC12CCC(=O)CC1CCC1C2CCC2(C)C1CCC2=O | | Class: | sterol | | Source: | human urine & adrenal cortex | | Therapeutics: | androgen | | Generic_name: | 5ALPHA-ANDROSTAN-3,17-DIONE | | Chemical_iupac_name: | 5ALPHA-ANDROSTAN-3,17-DIONE | | Drug_type: | Experimental | | Drugbank_id: | EXPT00262 | | Drug_category: | Estradiol 17 Beta-Dehydrogenase 1 inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
YPT6 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.2624±0.010253 |
| Normalized OD Score: sc h |
0.4789±0.00443547 |
| Z-Score: |
-5.2458±0.774516 |
| p-Value: |
0.00000131599 |
| Z-Factor: |
0.538021 |
| Fitness Defect: |
13.5409 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|C8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.50 Celcius | | Date: | 2008-06-05 YYYY-MM-DD | | Plate CH Control (+): | 0.04085±0.00043 | | Plate DMSO Control (-): | 0.53375±0.01083 | | Plate Z-Factor: | 0.9136 |
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ps
pdf |
| 111048 |
1-[(1R,2S)-2-methylcyclohexyl]ethanone |
| 111402 |
n/a |
| 111416 |
4-[(3,3-dimethylnorbornan-2-yl)methyl]-2-methyl-cyclohexan-1-one |
| 112061 |
3-methyldodecanal |
| 112653 |
3,3,4a-trimethyl-4,4b,5,6,7,8,8a,8b-octahydro-2H-biphenylen-1-one |
| 113430 |
3,9-diethyltridecan-6-one |
| internal high similarity DBLink | Rows returned: 17 | 1 2 3 Next >> |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
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