| Compound Information | SONAR Target prediction | | Name: | CHOLESTAN-3-ONE | | Unique Identifier: | SPE00270088 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C27H46O | | Molecular Weight: | 341.296 g/mol | | X log p: | 1.754 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C | | Source: | ex minor mammalian sterol | | Generic_name: | 5ALPHA-ANDROSTAN-3,17-DIONE | | Chemical_iupac_name: | 5ALPHA-ANDROSTAN-3,17-DIONE | | Drug_type: | Experimental | | Drugbank_id: | EXPT00262 | | Drug_category: | Estradiol 17 Beta-Dehydrogenase 1 inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
ARX1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6870±0.0086267 |
| Normalized OD Score: sc h |
1.0183±0.0018189 |
| Z-Score: |
0.9059±0.166068 |
| p-Value: |
0.368264 |
| Z-Factor: |
-3.28979 |
| Fitness Defect: |
0.999 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 6|D8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.10 Celcius | | Date: | 2007-10-11 YYYY-MM-DD | | Plate CH Control (+): | 0.039425±0.00139 | | Plate DMSO Control (-): | 0.6755249999999999±0.02177 | | Plate Z-Factor: | 0.8906 |
|  png
ps
pdf |
| 7052757 |
(5S,8S,9R,10S,13R,14R)-5,10,13,14-tetramethyl-2,4,6,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanth
rene-3,17-dione |
| 7052794 |
(5S,8S,9R,10S,13S,14R)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthr
ene-3,16-dione |
| 7052795 |
(5S,8S,9R,10S,13R,14R)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthr
ene-3,16-dione |
| 7052796 |
(5S,8S,9S,10S,13S,14R)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthr
ene-3,16-dione |
| 7052797 |
(5S,8S,9S,10S,13R,14R)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthr
ene-3,16-dione |
| 7052848 |
(5S,8R,9R,10S,13R,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthr
ene-3,17-dione |
| internal high similarity DBLink | Rows returned: 17 | 1 2 3 Next >> |
| active | Cluster 5819 | Additional Members: 6 | Rows returned: 0 | |
|
