| Compound Information | SONAR Target prediction | | Name: | Pregnenolone | | Unique Identifier: | Prest859 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C21H32O2 | | Molecular Weight: | 287.247 g/mol | | X log p: | 1.976 (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 | | 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: |
9606 |
| Condition: |
TMPPre002 |
| Replicates: |
2 |
| Raw OD Value: r im |
10373.5000±0 |
| Normalized OD Score: sc h |
1.0848±0 |
| Z-Score: |
1.9117±0 |
| p-Value: |
0.0559102 |
| Z-Factor: |
-3.22136 |
| Fitness Defect: |
2.884 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 7|G7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 24.10 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 951.5±923.27222 | | Plate DMSO Control (-): | 2006±543.99595 | | Plate Z-Factor: | -4.4324 |
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ps
pdf |
| 257632 |
1-(3-hydroxy-6,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-
yl)ethanone |
| 288137 |
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-2-one |
| 312777 |
6-[(3R,8R,10S,13S)-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]heptan-2-one |
| 313764 |
3-hydroxy-13-methyl-2,3,4,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one |
| 351779 |
2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
-6-methyl-heptan-3-one |
| 439611 |
1-[(3S,8S,9S,10R,13R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopen
ta[a]phenanthren-17-yl]ethanone |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 7902 | Additional Members: 9 | Rows returned: 4 | |
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