| Compound Information | SONAR Target prediction | | Name: | Epiandrosterone | | Unique Identifier: | Prest699 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C19H30O2 | | Molecular Weight: | 264.234 g/mol | | X log p: | -0.281 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC12CCC(O)CC1CCC1C2CCC2(C)C1CCC2=O | | Generic_name: | AETIOCHOLANOLONE | | Chemical_iupac_name: | AETIOCHOLANOLONE | | Drug_type: | Experimental | | Drugbank_id: | EXPT00443 | | Drug_category: | Alcohol Sulfotransferase inhibitor | | Organisms_affected: | -1 |
| Species: |
9606 |
| Condition: |
TMPPre001 |
| Replicates: |
2 |
| Raw OD Value: r im |
2005.0000±0 |
| Normalized OD Score: sc h |
0.9596±0 |
| Z-Score: |
-0.9116±0 |
| p-Value: |
0.361978 |
| Z-Factor: |
-17.6957 |
| Fitness Defect: |
1.0162 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 6|D11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 24.00 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 1009.5±953.84240 | | Plate DMSO Control (-): | 2021±558.06298 | | Plate Z-Factor: | -4.4864 |
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ps
pdf |
| 7002084 |
(3R,5S,8S,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclop
enta[a]phenanthren-17-one |
| 7002085 |
(3R,5S,8S,9R,10R,13S,14R)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclop
enta[a]phenanthren-17-one |
| 7002165 |
(2S,5R,8S,9R,10S,13S,14R,17R)-17-hydroxy-2,10,13-trimethyl-17-propyl-2,4,5,6,7,8,9,11,12,14,15,16-dodeca
hydro-1H-cyclopenta[a]phenanthren-3-one |
| 7002334 |
1-[(3S,5S,8S,9R,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahyd
ro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
| 7002667 |
(5S,8S,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyc
lopenta[a]phenanthren-3-one |
| 7002668 |
(5S,8S,9R,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyc
lopenta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 0 | |
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