Compound Information | SONAR Target prediction | Name: | 1,7-Dimethylxanthine | Unique Identifier: | LOPAC 00004 | 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: | Cn1cnc2NC(=O)N(C)C(=O)c12 | Class: | Adenosine | Action: | Antagonist | Selectivity: | A1 > A2 |
Species: |
4932 |
Condition: |
KRE1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6910±0.0260215 |
Normalized OD Score: sc h |
1.0067±0.0129677 |
Z-Score: |
0.2975±0.564308 |
p-Value: |
0.702616 |
Z-Factor: |
-16.2358 |
Fitness Defect: |
0.3529 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 5|G10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 27.90 Celcius | Date: | 2005-11-22 YYYY-MM-DD | Plate CH Control (+): | 0.039075±0.00142 | Plate DMSO Control (-): | 0.65535±0.02735 | Plate Z-Factor: | 0.8120 |
| png ps pdf |
DBLink | Rows returned: 1 | |
4687 |
1,7-dimethyl-3H-purine-2,6-dione |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 11665 | Additional Members: 2 | Rows returned: 0 | |
|