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: |
LAT1 |
Replicates: |
2 |
Raw OD Value: r im |
0.4783±0.0181019 |
Normalized OD Score: sc h |
0.7162±0.0244322 |
Z-Score: |
-13.9466±0.308563 |
p-Value: |
3.44719e-43 |
Z-Factor: |
0.530519 |
Fitness Defect: |
97.7736 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 3|F8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 27.10 Celcius | Date: | 2008-04-23 YYYY-MM-DD | Plate CH Control (+): | 0.039875±0.00120 | Plate DMSO Control (-): | 0.66015±0.01329 | Plate Z-Factor: | 0.9339 |
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3401651 |
3-hydroxy-10,13-dimethyl-16-propan-2-yl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren -17-one |
3408999 |
6-(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-3-one |
3411907 |
3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one |
3553248 |
(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxi danium |
3830292 |
1-(3-hydroxy-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17 -yl)ethanone |
4367012 |
16-cyclohexyl-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren- 17-one |
internal high similarity DBLink | Rows returned: 3 | |
active | Cluster 7902 | Additional Members: 9 | Rows returned: 3 | |
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