| 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: |
MKK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7440±0.046669 |
| Normalized OD Score: sc h |
0.9015±0.0340428 |
| Z-Score: |
-2.7873±0.816297 |
| p-Value: |
0.013934 |
| Z-Factor: |
-1.10086 |
| Fitness Defect: |
4.2734 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 16|C6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.10075±0.00921 | | Plate DMSO Control (-): | 0.9664999999999999±0.03207 | | Plate Z-Factor: | 0.8426 |
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ps
pdf |
| 443 |
10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione |
| 454 |
octanal |
| 984 |
hexadecanal |
| 2537 |
1,7,7-trimethylnorbornan-2-one |
| 6986 |
5-methyl-2-propan-2-yl-cyclohexan-1-one |
| 7016 |
2-cyclohexylcyclohexan-1-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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