Compound Information | SONAR Target prediction | Name: | DEHYDROEPIANDROSTERONE | Unique Identifier: | SPE00100582 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 260.202 g/mol | X log p: | 0.92 (online calculus) | Lipinksi Failures | 0 | TPSA | 17.07 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 2 | Rotatable Bond Count: | 0 | Canonical Smiles: | CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O | Source: | semisynthetic | Reference: | Helv Chim Acta 18: 61 (1935) | Generic_name: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | Chemical_iupac_name: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | Drug_type: | Experimental | Drugbank_id: | EXPT00519 | Logp: | 3.73 | Drug_category: | Isomerase inhibitor | Organisms_affected: | -1 |
Species: |
4932 |
Condition: |
BY4741 |
Replicates: |
2 |
Raw OD Value: r im |
0.6679±0.0171827 |
Normalized OD Score: sc h |
0.8767±0.00331485 |
Z-Score: |
-5.0328±0.453446 |
p-Value: |
0.00000126837 |
Z-Factor: |
0.398854 |
Fitness Defect: |
13.5778 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 2|D6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 28.20 Celcius | Date: | 2005-12-15 YYYY-MM-DD | Plate CH Control (+): | 0.037750000000000006±0.00182 | Plate DMSO Control (-): | 0.7519±0.01566 | Plate Z-Factor: | 0.8917 |
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257632 |
1-(3-hydroxy-6,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17- yl)ethanone |
288137 |
6-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) heptan-2-one |
312777 |
6-[(3R,8R,10S,13S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]ph enanthren-17-yl]heptan-2-one |
313764 |
3-hydroxy-13-methyl-2,3,4,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one |
351779 |
2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) -6-methyl-heptan-3-one |
439611 |
1-[(3S,8S,9S,10R,13R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopen ta[a]phenanthren-17-yl]ethanone |
internal high similarity DBLink | Rows returned: 3 | |
active | Cluster 10893 | Additional Members: 6 | Rows returned: 1 | |
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