| 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: |
PPH21 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7018±0.00678822 |
| Normalized OD Score: sc h |
0.8569±0.00174673 |
| Z-Score: |
-5.1356±0.132449 |
| p-Value: |
0.000000315562 |
| Z-Factor: |
0.631935 |
| Fitness Defect: |
14.9689 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 9|A3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.20 Celcius | | Date: | 2006-05-16 YYYY-MM-DD | | Plate CH Control (+): | 0.03825±0.00239 | | Plate DMSO Control (-): | 0.8121750000000001±0.01323 | | Plate Z-Factor: | 0.9265 |
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| 7053598 |
(1R,3R,4R)-1,7,7-trimethyl-3-propyl-norbornan-2-one |
| 7053599 |
(1R,3S,4R)-1,7,7-trimethyl-3-propyl-norbornan-2-one |
| 7053604 |
(1R,3R,4R)-1,3,7,7-tetramethylnorbornan-2-one |
| 7053605 |
(1R,3S,4R)-1,3,7,7-tetramethylnorbornan-2-one |
| 7054194 |
1-[(1S,2R,5R)-2-methyl-5-propan-2-yl-cyclopentyl]ethanone |
| 7054195 |
1-[(1S,2S,5R)-2-methyl-5-propan-2-yl-cyclopentyl]ethanone |
| internal high similarity DBLink | Rows returned: 17 | 1 2 3 Next >> |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
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