| Compound Information | SONAR Target prediction | | Name: | EQUILIN | | Unique Identifier: | SPE01500275 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 248.191 g/mol | | X log p: | 8.274 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC12CCC3C(=CCc4cc(O)ccc34)C1CCC2=O | | Class: | sterol | | Source: | pregnant mare urine | | Therapeutics: | estrogen | | Generic_name: | EQUILIN | | Chemical_iupac_name: | EQUILIN | | Drug_type: | Experimental | | Drugbank_id: | EXPT01355 | | Drug_category: | Estradiol 17 Beta-Dehydrogenase 1 inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
RIC1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.1795±0.0152735 |
| Normalized OD Score: sc h |
0.3970±0.0115061 |
| Z-Score: |
-7.4067±1.1858 |
| p-Value: |
0.0000000000254684 |
| Z-Factor: |
0.70635 |
| Fitness Defect: |
24.3936 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 5|D6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.60 Celcius | | Date: | 2006-03-17 YYYY-MM-DD | | Plate CH Control (+): | 0.0394±0.00176 | | Plate DMSO Control (-): | 0.463975±0.02140 | | Plate Z-Factor: | 0.7790 |
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| DBLink | Rows returned: 3 | |
| 3247 |
3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one |
| 223368 |
(9S,13S,14R)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one |
| 6604252 |
(9R,13S,14R)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one |
| internal high similarity DBLink | Rows returned: 0 | |
| nonactive | Cluster 6450 | Additional Members: 2 | Rows returned: 1 | |
|
