Compound Information | SONAR Target prediction | Name: | PREGNENOLONE | Unique Identifier: | SPE01500645 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 284.224 g/mol | X log p: | 1.745 (online calculus) | Lipinksi Failures | 0 | TPSA | 17.07 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 2 | Rotatable Bond Count: | 1 | Canonical Smiles: | CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C | Source: | semisynthetic | Therapeutics: | glucocortcoid, antiinflammatory | 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: |
BCK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6690±0.019304 |
Normalized OD Score: sc h |
0.7536±0.00793179 |
Z-Score: |
-4.8137±0.069877 |
p-Value: |
0.00000152536 |
Z-Factor: |
0.370989 |
Fitness Defect: |
13.3933 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 3|F8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.20 Celcius | Date: | 2008-05-14 YYYY-MM-DD | Plate CH Control (+): | 0.040325±0.00084 | Plate DMSO Control (-): | 0.69795±0.01617 | Plate Z-Factor: | 0.9207 |
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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 7902 | Additional Members: 9 | Rows returned: 3 | |
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