| 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: |
UBP6 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5781±0.00636396 |
| Normalized OD Score: sc h |
0.9003±0.000695637 |
| Z-Score: |
-4.0329±0.271126 |
| p-Value: |
0.0000731976 |
| Z-Factor: |
0.250457 |
| Fitness Defect: |
9.5223 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 16|E8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.60 Celcius | | Date: | 2008-01-24 YYYY-MM-DD | | Plate CH Control (+): | 0.041800000000000004±0.00056 | | Plate DMSO Control (-): | 0.6069±0.01456 | | Plate Z-Factor: | 0.9120 |
|  png
ps
pdf |
| 7052377 |
1-[(3S,5R,8R,9R,10R,13R,14S,17R)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahy
dro-1H-cyclopenta[a]phenanthren-3-yl]ethanone |
| 7052378 |
1-[(3R,5R,8R,9R,10S,13R,14S,17R)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahy
dro-1H-cyclopenta[a]phenanthren-3-yl]ethanone |
| 7052379 |
1-[(3S,5R,8R,9R,10S,13R,14S,17R)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahy
dro-1H-cyclopenta[a]phenanthren-3-yl]ethanone |
| 7052514 |
(3R,5S,8S,9R,10S,13R,14S)-3-hydroxy-5,10,13-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclop
enta[a]phenanthren-17-one |
| 7052515 |
(3R,5R,8S,9R,10S,13R,14S)-3-hydroxy-5,10,13-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclop
enta[a]phenanthren-17-one |
| 7052516 |
(3R,5S,8R,9R,10S,13R,14S)-3-hydroxy-5,10,13-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclop
enta[a]phenanthren-17-one |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
|
