| Compound Information | SONAR Target prediction | | Name: | Emodin | | Unique Identifier: | LOPAC 00595 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C15H10O5 | | Molecular Weight: | 260.158 g/mol | | X log p: | 7.787 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 34.14 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | Cc1cc(O)c2c(=O)c3c(O)cc(O)cc3c(=O)c2c1 | | Class: | Phosphorylation | | Action: | Inhibitor | | Selectivity: | p56lck TK |
| Species: |
4932 |
| Condition: |
SMI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5151±0.0222032 |
| Normalized OD Score: sc h |
0.7427±0.028157 |
| Z-Score: |
-7.0796±1.33199 |
| p-Value: |
0.000000000418402 |
| Z-Factor: |
-0.194731 |
| Fitness Defect: |
21.5946 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 7|H3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.10 Celcius | | Date: | 2005-11-15 YYYY-MM-DD | | Plate CH Control (+): | 0.038900000000000004±0.00192 | | Plate DMSO Control (-): | 0.7448250000000001±0.04802 | | Plate Z-Factor: | 0.7338 |
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| DBLink | Rows returned: 1 | |
| 3220 |
1,6,8-trihydroxy-3-methyl-anthracene-9,10-dione |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 1535 | Additional Members: 5 | Rows returned: 3 | |
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