| 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: |
PFK2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3725±0.00968736 |
| Normalized OD Score: sc h |
0.8109±0.00600145 |
| Z-Score: |
-6.0716±0.252833 |
| p-Value: |
0.0000000021029 |
| Z-Factor: |
0.493006 |
| Fitness Defect: |
19.9799 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 12|F11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.20 Celcius | | Date: | 2008-05-10 YYYY-MM-DD | | Plate CH Control (+): | 0.040425±0.00044 | | Plate DMSO Control (-): | 0.46257499999999996±0.01143 | | Plate Z-Factor: | 0.9165 |
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ps
pdf |
| 908452 |
(3R,8R,9R,10R,13R,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phe
nanthren-17-one |
| 1767844 |
1-[(3R,8S,9R,10S,13R,14S,16S,17R)-3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro
-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
| 1780096 |
(3R,8R,9R,10R,13R,14R)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phe
nanthren-17-one |
| 2817714 |
(3R,8R,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17
-one |
| 2854334 |
n/a |
| 3036245 |
(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-7-tritio-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclope
nta[a]phenanthren-17-one |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 10893 | Additional Members: 6 | Rows returned: 1 | |
|
