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: |
SPT3 |
Replicates: |
2 |
Raw OD Value: r im |
0.1839±0.0108187 |
Normalized OD Score: sc h |
0.3348±0.0172188 |
Z-Score: |
-10.9443±0.109659 |
p-Value: |
9.80058e-28 |
Z-Factor: |
0.68895 |
Fitness Defect: |
62.1899 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 3|F8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.30 Celcius | Date: | 2008-02-13 YYYY-MM-DD | Plate CH Control (+): | 0.040775±0.00112 | Plate DMSO Control (-): | 0.53945±0.02728 | Plate Z-Factor: | 0.8291 |
| png ps pdf |
146469 |
1-[(3R,8S,9S,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 |
165617 |
(6R)-6-[(3S,8S,9S,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 |
200275 |
1-[(3S,8R,9S,10R,13S,14S,16S,17S)-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 |
242487 |
(3S,8R,9S,10R,13R,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phe nanthren-16-one |
247834 |
1-[(3S,8S,9S,10R,13R,14S,17R)-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 |
253135 |
1-[(3S,8R,9S,10R,13S,14S,16R,17S)-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 | |
|