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: |
SPE01501116 |
Replicates: |
2 |
Raw OD Value: r im |
0.6020±0.0150614 |
Normalized OD Score: sc h |
0.9691±0.0268937 |
Z-Score: |
-0.7521±0.554677 |
p-Value: |
0.48569 |
Z-Factor: |
-2.99556 |
Fitness Defect: |
0.7222 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SpectrumTMP | Plate Number and Position: | 1|H3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 22.20 Celcius | Date: | 2006-11-22 YYYY-MM-DD | Plate CH Control (+): | 0.040400000000000005±0.00224 | Plate DMSO Control (-): | 0.67225±0.17104 | Plate Z-Factor: | 0.2875 |
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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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