| 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: |
PDE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5623±0.00883884 |
| Normalized OD Score: sc h |
0.6957±0.00591387 |
| Z-Score: |
-10.9731±0.185543 |
| p-Value: |
1.14867e-27 |
| Z-Factor: |
0.677251 |
| Fitness Defect: |
62.0312 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 7|B7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.00 Celcius | | Date: | 2006-05-11 YYYY-MM-DD | | Plate CH Control (+): | 0.03745±0.00186 | | Plate DMSO Control (-): | 0.793525±0.02069 | | Plate Z-Factor: | 0.8988 |
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ps
pdf |
| 288603 |
8-(hydroxymethyl)-4b,8-dimethyl-2,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-3-one |
| 298135 |
1-[(4aS,4bS,6aR,7S,10aS,10bS)-7-(1-hydroxyethyl)-4a,6a-dimethyl-1,2,3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12
a-hexadecahydrochrysen-2-yl]ethanone |
| 301437 |
17-hydroxy-2,7,10,13-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthre
n-3-one |
| 301438 |
17-hydroxy-2,7,10,13,17-pentamethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren
-3-one |
| 352068 |
17-ethyl-17-hydroxy-5,13-dimethyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-
3-one |
| 352069 |
17-hydroxy-5,13-dimethyl-1,2,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
|
