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: |
YPT6 |
Replicates: |
2 |
Raw OD Value: r im |
0.6690±0.00176777 |
Normalized OD Score: sc h |
1.0104±0.00725288 |
Z-Score: |
0.3563±0.261054 |
p-Value: |
0.726092 |
Z-Factor: |
-31.6424 |
Fitness Defect: |
0.3201 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 24|G8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 22.90 Celcius | Date: | 2006-02-22 YYYY-MM-DD | Plate CH Control (+): | 0.040225±0.00086 | Plate DMSO Control (-): | 0.6349750000000001±0.02137 | Plate Z-Factor: | 0.8823 |
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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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