| 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: |
RPN1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5914±0.0163342 |
| Normalized OD Score: sc h |
0.8953±0.0244118 |
| Z-Score: |
-5.3383±1.35286 |
| p-Value: |
0.00000588938 |
| Z-Factor: |
-0.566263 |
| Fitness Defect: |
12.0424 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 12|F11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.10 Celcius | | Date: | 2008-05-28 YYYY-MM-DD | | Plate CH Control (+): | 0.04±0.00048 | | Plate DMSO Control (-): | 0.643675±0.01767 | | Plate Z-Factor: | 0.9160 |
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ps
pdf |
| 7213979 |
(6R)-6-[(3S,8S,9R,10R,13R,14S,17S)-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 |
| 7213980 |
(6S)-6-[(3S,8S,9R,10R,13R,14S,17R)-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 |
| 7213983 |
(6R)-6-[(3S,8S,9R,10R,13R,14S,17R)-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 |
| 11727255 |
1-[(1S,4aS,4bS,8S,10aR,10bS,12aS)-8-hydroxy-10a,12a-dimethyl-1,2,3,4,4a,4b,5,7,8,9,10,10b,11,12-tetradec
ahydrochrysen-1-yl]ethanone |
| 11875465 |
1-[(3S,8S,9R,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cycl
openta[a]phenanthren-17-yl]ethanone |
| 11875466 |
1-[(3S,8S,9R,10R,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cycl
openta[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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