| 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: |
TMPPre001 |
| Replicates: |
2 |
| Raw OD Value: r im |
1835.0000±0 |
| Normalized OD Score: sc h |
0.9095±0 |
| Z-Score: |
-2.0400±0 |
| p-Value: |
0.041351 |
| Z-Factor: |
-108.465 |
| Fitness Defect: |
3.1857 |
| 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 (+): | 934.5±887.42587 | | Plate DMSO Control (-): | 1947.5±635.64730 | | Plate Z-Factor: | -4.7271 |
|  png
ps
pdf |
| 3481851 |
n/a |
| 3516474 |
3-hydroxy-10,11,13-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-
one |
| 3542566 |
17-hydroxy-4,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3
-one |
| 3557559 |
1-(3-hydroxy-10,13,16-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenant
hren-17-yl)ethanone |
| 3582749 |
17-hydroxy-2,10,13-trimethyl-17-propyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanth
ren-3-one |
| 3597368 |
1-[7-(1-hydroxyethyl)-4a,6a-dimethyl-1,2,3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-yl
]ethanone |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 6 | |
|
