Compound Information | SONAR Target prediction | Name: | | Unique Identifier: | 1075-0001 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C10H13N5O3 | 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 | 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: |
gpr1-2nd |
Replicates: |
2 |
Raw OD Value: r im |
0.7017±0.0405172 |
Normalized OD Score: sc h |
1.0774±0.0648003 |
Z-Score: |
1.8541±1.32678 |
p-Value: |
0.182464 |
Z-Factor: |
-6.27046 |
Fitness Defect: |
1.7012 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | ChemDiv-Kinase | Plate Number and Position: | 2|E8 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 0.00 Celcius | Date: | 2005-08-16 YYYY-MM-DD | Plate CH Control (+): | 0.0435±0.00199 | Plate DMSO Control (-): | 0.554125±0.07871 | Plate Z-Factor: | 0.3720 |
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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: 3 | |
active | Cluster 9750 | Additional Members: 25 | Rows returned: 4 | |
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