| 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: |
KRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4922±0.00155563 |
| Normalized OD Score: sc h |
0.7726±0.0222297 |
| Z-Score: |
-9.6995±0.601198 |
| p-Value: |
8.93722e-21 |
| Z-Factor: |
0.467314 |
| Fitness Defect: |
46.1641 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 11|A5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.90 Celcius | | Date: | 2005-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.0381±0.00153 | | Plate DMSO Control (-): | 0.619175±0.01104 | | Plate Z-Factor: | 0.9162 |
|  png
ps
pdf |
| DBLink | Rows returned: 3 | |
| internal high similarity DBLink | Rows returned: 0 | |
| nonactive | Cluster 5447 | Additional Members: 4 | Rows returned: 3 | |
|
