| 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: |
RNR3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6419±0.0108187 |
| Normalized OD Score: sc h |
0.8235±0.0137424 |
| Z-Score: |
-5.2553±0.0862779 |
| p-Value: |
0.000000155682 |
| Z-Factor: |
0.278382 |
| Fitness Defect: |
15.6755 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 2|D6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.40 Celcius | | Date: | 2006-04-26 YYYY-MM-DD | | Plate CH Control (+): | 0.038375±0.00367 | | Plate DMSO Control (-): | 0.7667999999999999±0.02112 | | Plate Z-Factor: | 0.8948 |
|  png
ps
pdf |
| 7061331 |
1-[(3R,8R,9S,10R,13S,14R,16R,17S)-3-hydroxy-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecah
ydrocyclopenta[a]phenanthren-17-yl]ethanone |
| 7061332 |
1-[(3R,8R,9S,10R,13S,14S,16R,17S)-3-hydroxy-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecah
ydrocyclopenta[a]phenanthren-17-yl]ethanone |
| 7061333 |
1-[(3S,8R,9S,10R,13S,14R,16R,17S)-3-hydroxy-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecah
ydrocyclopenta[a]phenanthren-17-yl]ethanone |
| 7061334 |
1-[(3S,8R,9S,10R,13S,14S,16R,17S)-3-hydroxy-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecah
ydrocyclopenta[a]phenanthren-17-yl]ethanone |
| 7079807 |
n/a |
| 7079808 |
n/a |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 10893 | Additional Members: 6 | Rows returned: 1 | |
|
