| 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: |
ATP4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6496±0.00848528 |
| Normalized OD Score: sc h |
1.0578±0.0127587 |
| Z-Score: |
2.1371±0.338243 |
| p-Value: |
0.0375946 |
| Z-Factor: |
-1.10032 |
| Fitness Defect: |
3.2809 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 3|B7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.30 Celcius | | Date: | 2008-03-06 YYYY-MM-DD | | Plate CH Control (+): | 0.039650000000000005±0.00057 | | Plate DMSO Control (-): | 0.6183000000000001±0.01810 | | Plate Z-Factor: | 0.9043 |
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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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