Compound Information | SONAR Target prediction | Name: | 3-alpha-Hydroxy-5-beta-androstan-17-one | Unique Identifier: | Prest1062 | 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: |
TMPPre003 |
Replicates: |
2 |
Raw OD Value: r im |
17004.0000±0 |
Normalized OD Score: sc h |
0.9591±0 |
Z-Score: |
-1.1379±0 |
p-Value: |
0.255154 |
Z-Factor: |
-67.2195 |
Fitness Defect: |
1.3659 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Prestwick | Plate Number and Position: | 9|F8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 0 nm | Robot Temperature: | 24.30 Celcius | Date: | 2006-10-10 YYYY-MM-DD | Plate CH Control (+): | 17809.5±2259.84799 | Plate DMSO Control (-): | 17786.5±3564.04555 | Plate Z-Factor: | -19.1868 |
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7002669 |
(5S,8S,9R,10R,13S,14R,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 |
7003235 |
(5S,8R,9S,10S,13S,14R,17R)-17-hydroxy-10,13-dimethyl-17-propyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro- 1H-cyclopenta[a]phenanthren-3-one |
7032609 |
(2R)-2-(11-hydroxyundecyl)cyclopentan-1-one |
7032610 |
(2S)-2-(11-hydroxyundecyl)cyclopentan-1-one |
7048583 |
(5R,8R,9R,10S,13S,14R,17R)-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 |
7052376 |
1-[(3R,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 |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 11774 | Additional Members: 14 | Rows returned: 6 | |
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