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: |
MCK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.3846±0.00905097 |
Normalized OD Score: sc h |
0.6493±0.0130827 |
Z-Score: |
-14.9531±1.7257 |
p-Value: |
3.22299e-43 |
Z-Factor: |
-1.10416 |
Fitness Defect: |
97.8408 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 19|D8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.60 Celcius | Date: | 2007-11-13 YYYY-MM-DD | Plate CH Control (+): | 0.038825±0.00202 | Plate DMSO Control (-): | 0.578825±0.11216 | Plate Z-Factor: | 0.3232 |
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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 7902 | Additional Members: 9 | Rows returned: 3 | |
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