Compound Information | SONAR Target prediction | Name: | ERGONOVINE MALEATE | Unique Identifier: | SPE01500277 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 415.271 g/mol | X log p: | 9.483 (online calculus) | Lipinksi Failures | 1 | TPSA | 20.31 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 5 | Rotatable Bond Count: | 4 | Canonical Smiles: | CC(CO)NC(=O)C1CN(C)C2Cc3cnc4cccc(C2=C1)c34.OC(=O)C=CC(O)=O | Class: | alkaloid | Source: | ergot and Convolvulvaceae spp | Therapeutics: | oxytocic, 5HT antagonist |
Species: |
4932 |
Condition: |
NPR1 |
Replicates: |
2 |
Raw OD Value: r im |
1.0435±0.00289914 |
Normalized OD Score: sc h |
0.9940±0.0186679 |
Z-Score: |
1.2140±0.423285 |
p-Value: |
0.245288 |
Z-Factor: |
-24.7525 |
Fitness Defect: |
1.4053 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 1|H11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2012-09-18 YYYY-MM-DD | Plate CH Control (+): | 0.0081±0.00469 | Plate DMSO Control (-): | 1.0006249999999999±0.02736 | Plate Z-Factor: | 0.9248 |
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DBLink | Rows returned: 0 | |
internal high similarity DBLink | Rows returned: 2 | |
active | Cluster 4543 | Additional Members: 12 | Rows returned: 1 | |
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