| 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: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7246±0.00820244 |
| Normalized OD Score: sc h |
1.0005±0.00219749 |
| Z-Score: |
0.0255±0.119766 |
| p-Value: |
0.932532 |
| Z-Factor: |
-14.8678 |
| Fitness Defect: |
0.0699 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 1|G10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 21.20 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.041575±0.00499 | | Plate DMSO Control (-): | 0.7029000000000001±0.07674 | | Plate Z-Factor: | 0.6152 |
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ps
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| 623134 |
17-(5,6-dimethylheptan-2-yl)-12-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydroc
yclopenta[a]phenanthren-3-one |
| 623591 |
8a-(hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-
1H-picen-3-one |
| 623875 |
3-hydroxy-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one |
| 626001 |
10-hydroxy-2,2,4a,6a,8a,9,14a-heptamethyl-1,3,4,5,6,6b,7,8,9,10,11,12,12a,13,14,14b-hexadecahydropicene-
6a-carbaldehyde |
| 627591 |
17-hydroxy-4,4,13-trimethyl-1,2,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-
one |
| 629113 |
17-hydroxy-4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3
-one |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 17389 | Additional Members: 4 | Rows returned: 1 | |
|
