Compound Information | SONAR Target prediction | Name: | Theobromine | Unique Identifier: | LOPAC 00005 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C7H8N4O2 | Molecular Weight: | 172.101 g/mol | X log p: | 1.673 (online calculus) | Lipinksi Failures | 0 | TPSA | 52.98 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 6 | Rotatable Bond Count: | 0 | Canonical Smiles: | Cn1cnc2N(C)C(=O)NC(=O)c12 | Class: | Adenosine | Action: | Antagonist | Selectivity: | A1 > A2 |
Species: |
4932 |
Condition: |
DEP1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6054±0.00855599 |
Normalized OD Score: sc h |
1.0231±0.00234352 |
Z-Score: |
0.9475±0.0535246 |
p-Value: |
0.343736 |
Z-Factor: |
-1.96634 |
Fitness Defect: |
1.0679 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 15|G8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.90 Celcius | Date: | 2005-11-16 YYYY-MM-DD | Plate CH Control (+): | 0.039025000000000004±0.00109 | Plate DMSO Control (-): | 0.58765±0.01476 | Plate Z-Factor: | 0.9153 |
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DBLink | Rows returned: 4 | |
5429 |
3,7-dimethylpurine-2,6-dione |
24700 |
sodium 3,7-dimethylpurine-2,6-dione |
205018 |
3,7-dimethylpurine-2,6-dione hydroiodide |
3031945 |
lithium 3,7-dimethylpurine-2,6-dione |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 9605 | Additional Members: 8 | Rows returned: 0 | |
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