| Compound Information | SONAR Target prediction | | Name: | Androsterone | | Unique Identifier: | Prest689 | | 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 |
1917.0000±0 |
| Normalized OD Score: sc h |
0.9023±0 |
| Z-Score: |
-2.2022±0 |
| p-Value: |
0.0276484 |
| Z-Factor: |
-62.9691 |
| Fitness Defect: |
3.5882 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 6|B2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 24.00 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 1009.5±953.84240 | | Plate DMSO Control (-): | 2021±558.06298 | | Plate Z-Factor: | -4.4864 |
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ps
pdf |
| 5257563 |
8a,11-bis(hydroxymethyl)-4,4a,6a,6b,11,14a-hexamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydr
o-1H-picen-3-one |
| 5284279 |
(5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,1
1,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
| 5318140 |
(10S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-1
7-one |
| 5318590 |
(10S,13S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthr
en-17-one |
| 5320304 |
n/a |
| 5320339 |
(6aR,6bR,8aS,12S,14bS)-11-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,4a,5,6,6a,7,8,9,10,12,12a,13,14,14
a-tetradecahydro-1H-picen-3-one |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 6 | |
|
