Compound Information | SONAR Target prediction | Name: | Methiothepin mesylate | Unique Identifier: | LOPAC 00521 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C21H28N2O3S3 | Molecular Weight: | 424.434 g/mol | X log p: | 15.562 (online calculus) | Lipinksi Failures | 1 | TPSA | 57.08 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 2 | Rotatable Bond Count: | 2 | Canonical Smiles: | CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1.CS(O)(=O)=O | Class: | Serotonin | Action: | Antagonist | Selectivity: | 5-HT1E, 5-HT1F, 5-HT6 |
Species: |
4932 |
Condition: |
SQS1 |
Replicates: |
2 |
Raw OD Value: r im |
0.7333±0.0276479 |
Normalized OD Score: sc h |
1.0104±0.0199506 |
Z-Score: |
0.4085±0.882288 |
p-Value: |
0.565686 |
Z-Factor: |
-6.0163 |
Fitness Defect: |
0.5697 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 11|A5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 0.00 Celcius | Date: | 2005-05-21 YYYY-MM-DD | Plate CH Control (+): | 0.047799999999999995±0.00086 | Plate DMSO Control (-): | 0.7164999999999999±0.03308 | Plate Z-Factor: | 0.8726 |
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DBLink | Rows returned: 3 | |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 5447 | Additional Members: 4 | Rows returned: 2 | |
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