| Compound Information | SONAR Target prediction | | Name: | DEOXYADENOSINE | | Unique Identifier: | SPE01502238 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 238.139 g/mol | | X log p: | 2.791 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 49.55 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 8 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | Nc1ncnc2n(cnc12)C1CC(O)C(CO)O1 | | Class: | alkaloid | | Source: | synthetic | | Generic_name: | 2--DEOXYADENOSINE | | Chemical_iupac_name: | 5-(6-AMINO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL | | Drug_type: | Experimental | | Drugbank_id: | EXPT00166 | | Logp: | -1.08 | | Drug_category: | Purine Trans Deoxyribosylase inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
GPR1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7956±0.0296985 |
| Normalized OD Score: sc h |
0.9900±0.00891425 |
| Z-Score: |
-0.2750±0.235133 |
| p-Value: |
0.786232 |
| Z-Factor: |
-15.098 |
| Fitness Defect: |
0.2405 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 8|A7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.50 Celcius | | Date: | 2006-03-02 YYYY-MM-DD | | Plate CH Control (+): | 0.038575±0.00080 | | Plate DMSO Control (-): | 0.7821499999999999±0.04082 | | Plate Z-Factor: | 0.9403 |
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| 636 |
5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol |
| 13730 |
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol |
| 72246 |
(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol |
| 453553 |
(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol |
| 489519 |
(2S,3R,5S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol |
| 6541020 |
(2R,3R,5S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol |
| internal high similarity DBLink | Rows returned: 4 | |
| active | Cluster 9750 | Additional Members: 25 | Rows returned: 3 | |
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