| 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: |
NDI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6019±0.0357796 |
| Normalized OD Score: sc h |
0.8530±0.0442084 |
| Z-Score: |
-6.8104±2.04182 |
| p-Value: |
0.000000040108 |
| Z-Factor: |
-0.536407 |
| Fitness Defect: |
17.0317 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|C8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.70 Celcius | | Date: | 2008-03-13 YYYY-MM-DD | | Plate CH Control (+): | 0.039425±0.00079 | | Plate DMSO Control (-): | 0.68755±0.02117 | | Plate Z-Factor: | 0.9042 |
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ps
pdf |
| 6596858 |
n/a |
| 6602335 |
(5S)-6-methyl-5-[(1R,5S,6S)-4-oxo-6-bicyclo[3.1.0]hexyl]heptan-2-one |
| 6708753 |
(5S,10S,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydr
ocyclopenta[a]phenanthren-3-one |
| 6710655 |
(5S,10S,13S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-d
ione |
| 6710656 |
(5S,10S,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyc
lopenta[a]phenanthren-3-one |
| 6857773 |
(4R)-1,7,7-trimethylnorbornan-2-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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