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: |
DRS2 |
Replicates: |
2 |
Raw OD Value: r im |
0.5295±0.0125158 |
Normalized OD Score: sc h |
0.7880±0.0148854 |
Z-Score: |
-9.1491±0.621268 |
p-Value: |
1.52206e-18 |
Z-Factor: |
0.454704 |
Fitness Defect: |
41.0265 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 3|F8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 22.40 Celcius | Date: | 2008-01-11 YYYY-MM-DD | Plate CH Control (+): | 0.041624999999999995±0.00044 | Plate DMSO Control (-): | 0.6601±0.01523 | Plate Z-Factor: | 0.9080 |
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534435 |
n/a |
534782 |
3-hydroxy-10,13-dimethyl-16-tert-butyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren- 17-one |
540887 |
1-[2-[1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren- 17-yl)ethyl]cyclopropyl]-2-methyl-propan-1-one |
623468 |
3-hydroxy-17-(7-hydroxy-6-methyl-heptan-2-yl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyc lopenta[a]phenanthren-16-one |
630213 |
1-(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 |
667669 |
(3R,8R,9S,10R,13R,14R)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phe nanthren-17-one |
internal high similarity DBLink | Rows returned: 3 | |
active | Cluster 7902 | Additional Members: 9 | Rows returned: 3 | |
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