| 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: |
SPE01500112 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5123±0.021991 |
| Normalized OD Score: sc h |
0.9965±0.0178718 |
| Z-Score: |
-0.0388±0.365339 |
| p-Value: |
0.7963 |
| Z-Factor: |
-4.20119 |
| Fitness Defect: |
0.2278 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SpectrumTMP | | Plate Number and Position: | 1|H3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.40 Celcius | | Date: | 2006-12-22 YYYY-MM-DD | | Plate CH Control (+): | 0.038575±0.00233 | | Plate DMSO Control (-): | 0.508225±0.04975 | | Plate Z-Factor: | 0.6290 |
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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 | |
| active | Cluster 6450 | Additional Members: 2 | Rows returned: 0 | |
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