| Compound Information | SONAR Target prediction | | Name: | ALLOPREGNANOLONE | | Unique Identifier: | SPE00100303 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 286.239 g/mol | | X log p: | 0.39 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC21C | | Class: | sterol | | Source: | semisynthetic | | Reference: | J Am Chem Soc 59: 616 (1937) | | Generic_name: | AETIOCHOLANOLONE | | Chemical_iupac_name: | AETIOCHOLANOLONE | | Drug_type: | Experimental | | Drugbank_id: | EXPT00443 | | Drug_category: | Alcohol Sulfotransferase inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
YPT6 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.2888±0.00898026 |
| Normalized OD Score: sc h |
0.7778±0.0108998 |
| Z-Score: |
-6.2171±0.313203 |
| p-Value: |
0.00000000107414 |
| Z-Factor: |
0.570137 |
| Fitness Defect: |
20.6517 |
| Bioactivity Statement: |
Toxic |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 1|G10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.60 Celcius | | Date: | 2006-02-22 YYYY-MM-DD | | Plate CH Control (+): | 0.041275±0.00199 | | Plate DMSO Control (-): | 0.33125±0.02279 | | Plate Z-Factor: | 0.6075 |
|  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 | |
| nonactive | Cluster 17389 | Additional Members: 4 | Rows returned: 3 | |
|
