Compound Information | SONAR Target prediction | Name: | Equilin | Unique Identifier: | Prest219 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C18H20O2 | Molecular Weight: | 250.207 g/mol | X log p: | 7.469 (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 | 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: |
9606 |
Condition: |
TMPPre002 |
Replicates: |
2 |
Raw OD Value: r im |
6040.5000±0 |
Normalized OD Score: sc h |
0.9243±0 |
Z-Score: |
-1.7053±0 |
p-Value: |
0.0881324 |
Z-Factor: |
-7.01944 |
Fitness Defect: |
2.4289 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Prestwick | Plate Number and Position: | 11|E11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 0 nm | Robot Temperature: | 23.20 Celcius | Date: | 2006-10-10 YYYY-MM-DD | Plate CH Control (+): | 853.5±701.09504 | Plate DMSO Control (-): | 849±311.18603 | Plate Z-Factor: | -72.3031 |
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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 | |
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