| Compound Information | SONAR Target prediction | | Name: | SELAMECTIN | | Unique Identifier: | SPE01503720 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 676.454 g/mol | | X log p: | 8.983 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 81.68 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 10 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | COC1CC(OC(C)C1O)OC1C(C)C=CC=C2COC3CC(C)=CC(C(=O)OC4CC(CC=C1C)OC1(CCC(C
)C(O1)C1CCCCC1)C4)C32O | | Source: | semisynthetic | | Therapeutics: | antiparasitic, antimite |
| Species: |
4932 |
| Condition: |
IDH2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5832±0.00339411 |
| Normalized OD Score: sc h |
0.9742±0.00444723 |
| Z-Score: |
-1.2893±0.191247 |
| p-Value: |
0.201388 |
| Z-Factor: |
-2.22939 |
| Fitness Defect: |
1.6025 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 15|H4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.50 Celcius | | Date: | 2007-10-19 YYYY-MM-DD | | Plate CH Control (+): | 0.040825±0.00089 | | Plate DMSO Control (-): | 0.589675±0.01398 | | Plate Z-Factor: | 0.9183 |
|  png
ps
pdf |
| DBLink | Rows returned: 3 | |
| internal high similarity DBLink | Rows returned: 2 | |
| active | Cluster 12611 | Additional Members: 6 | Rows returned: 2 | |
|
