| Compound Information | SONAR Target prediction | | Name: | EPIANDROSTERONE | | Unique Identifier: | SPE00310009 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 261.21 g/mol | | X log p: | -0.512 (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 | | Class: | sterol | | Source: | in normal human urine | | Reference: | J Am Chem Soc 75: 2275 (9153) | | Generic_name: | AETIOCHOLANOLONE | | Chemical_iupac_name: | AETIOCHOLANOLONE | | Drug_type: | Experimental | | Drugbank_id: | EXPT00443 | | Drug_category: | Alcohol Sulfotransferase inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
SWE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7387±0.0187383 |
| Normalized OD Score: sc h |
0.7955±0.00284663 |
| Z-Score: |
-6.1406±0.414618 |
| p-Value: |
0.00000000255822 |
| Z-Factor: |
0.631738 |
| Fitness Defect: |
19.784 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 16|E8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.30 Celcius | | Date: | 2008-05-13 YYYY-MM-DD | | Plate CH Control (+): | 0.04115±0.00711 | | Plate DMSO Control (-): | 0.6912750000000001±0.01761 | | Plate Z-Factor: | 0.8969 |
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ps
pdf |
| 6431263 |
(5S,17S)-17-ethyl-17-hydroxy-13-methyl-1,2,3,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phen
anthren-4-one |
| 6431264 |
(5S,17S)-17-hydroxy-13,17-dimethyl-1,2,3,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanth
ren-4-one |
| 6432517 |
(5S,17S)-17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanth
ren-3-one |
| 6432518 |
(5S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanth
ren-3-one |
| 6432531 |
(3R,5R)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren
-17-one |
| 6432554 |
(3S,5R)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren
-17-one |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
|
