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 |
0.8305±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: | Spectrum_ED | Plate Number and Position: | 24|E9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2010-08-10 YYYY-MM-DD | Plate CH Control (+): | 0.0985±0.00815 | Plate DMSO Control (-): | 0.9497500000000001±0.02090 | Plate Z-Factor: | 0.8947 |
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7079809 |
n/a |
7079810 |
n/a |
7088398 |
1-[(3S,8R,9R,10R,13R,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 |
7088399 |
1-[(3S,8R,9R,10R,13R,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 |
7091662 |
1-[(3S,8R,9S,10R,13S,14R,16R,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 |
7091663 |
1-[(3S,8R,9S,10R,13S,14S,16R,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 |
internal high similarity DBLink | Rows returned: 3 | |
active | Cluster 7902 | Additional Members: 9 | Rows returned: 3 | |
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