| 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: |
REF2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4432±0.00424264 |
| Normalized OD Score: sc h |
1.2828±0.0770695 |
| Z-Score: |
8.1203±2.13735 |
| p-Value: |
0.0000000000193567 |
| Z-Factor: |
-0.345986 |
| Fitness Defect: |
24.668 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 3|F8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.50 Celcius | | Date: | 2008-08-27 YYYY-MM-DD | | Plate CH Control (+): | 0.04165±0.00084 | | Plate DMSO Control (-): | 0.332175±0.01561 | | Plate Z-Factor: | 0.8715 |
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ps
pdf |
| 5318142 |
(10R)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one |
| 5459841 |
1-[(3S,8S,10R,13R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]ph
enanthren-17-yl]ethanone |
| 5702134 |
1-[(3S,10R,13R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]p
henanthren-17-yl]ethanone |
| 6429574 |
(3S)-3-hydroxy-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one |
| 6432532 |
(3S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one |
| 6451317 |
1-[(3S,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 |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 7902 | Additional Members: 9 | Rows returned: 3 | |
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