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: |
SRS2 |
Replicates: |
2 |
Raw OD Value: r im |
0.6955±0.018809 |
Normalized OD Score: sc h |
0.9929±0.0101121 |
Z-Score: |
-0.3473±0.488308 |
p-Value: |
0.743512 |
Z-Factor: |
-20.0123 |
Fitness Defect: |
0.2964 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 4|H9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 20.80 Celcius | Date: | 2008-01-22 YYYY-MM-DD | Plate CH Control (+): | 0.0417±0.00060 | Plate DMSO Control (-): | 0.680275±0.01457 | Plate Z-Factor: | 0.9234 |
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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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