| 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: |
MMS22 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3158±0.0158392 |
| Normalized OD Score: sc h |
0.6062±0.0177317 |
| Z-Score: |
-12.9619±1.30332 |
| p-Value: |
1.0903e-33 |
| Z-Factor: |
0.694437 |
| Fitness Defect: |
75.8989 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 16|E8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.30 Celcius | | Date: | 2008-06-13 YYYY-MM-DD | | Plate CH Control (+): | 0.04105±0.00061 | | Plate DMSO Control (-): | 0.5176499999999999±0.01186 | | Plate Z-Factor: | 0.9270 |
|  png
ps
pdf |
| 609725 |
8-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydropice
n-3-one |
| 610152 |
9-hydroxy-4,4,6a,6b,10,10,12a,14b-octamethyl-2,4a,5,6,6a,7,8,8a,9,11,12,13,14,14a-tetradecahydro-1H-pice
n-3-one |
| 613633 |
3-hydroxy-4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,8,9,12,15,16,17-dodecahydrocyclo
penta[a]phenanthren-11-one |
| 616642 |
17-hydroxy-1,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-
one |
| 618872 |
17-(2-hydroxyethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanth
ren-3-one |
| 620903 |
n/a |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
|
