| 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: |
BCK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7685±0.0144957 |
| Normalized OD Score: sc h |
0.6875±0.0129011 |
| Z-Score: |
-5.0168±0.340826 |
| p-Value: |
0.000000967982 |
| Z-Factor: |
0.497782 |
| Fitness Defect: |
13.8481 |
| Bioactivity Statement: |
Active |
| 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 (+): | 0.09125±0.00329 | | Plate DMSO Control (-): | 0.96075±0.03064 | | Plate Z-Factor: | 0.8638 |
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ps
pdf |
| 91472 |
(4R,4aR,6aS,6aR,6bR,8aR,12aR,14aR,14bR)-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-picen-3-one |
| 92128 |
(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,1
7-tetradecahydrocyclopenta[a]phenanthren-3-one |
| 92132 |
(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,1
7-tetradecahydrocyclopenta[a]phenanthren-3-one |
| 92652 |
(1S,2R,4R)-3,3-dimethylnorbornane-2-carbaldehyde |
| 92737 |
2,6,10-trimethylundecanal |
| 92745 |
(5R,8R,9S,10S,13R,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocycl
openta[a]phenanthren-3-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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