N-[5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]acetamide
| Internal ID | 7b328792-9c44-44d7-82bb-4ff70aff1832 |
| Taxonomy | Nucleosides, nucleotides, and analogues > Purine nucleosides > Purine 3-deoxyribonucleosides |
| IUPAC Name | N-[5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]acetamide |
| SMILES (Canonical) | CC(=O)NC1C(OC(C1O)N2C=NC3=C2N=CN=C3N(C)C)CO |
| SMILES (Isomeric) | CC(=O)NC1C(OC(C1O)N2C=NC3=C2N=CN=C3N(C)C)CO |
| InChI | InChI=1S/C14H20N6O4/c1-7(22)18-9-8(4-21)24-14(11(9)23)20-6-17-10-12(19(2)3)15-5-16-13(10)20/h5-6,8-9,11,14,21,23H,4H2,1-3H3,(H,18,22) |
| InChI Key | YUNXLSKYACXNRM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H20N6O4 |
| Molecular Weight | 336.35 g/mol |
| Exact Mass | 336.15460314 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of N-[5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]acetamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-5-6-dimethylaminopurin-9-yl-4-hydroxy-2-hydroxymethyloxolan-3-ylacetamide.jpg "2D Structure of N-[5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]acetamide")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.00% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.81% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.11% | 98.95% |
| CHEMBL3589 | P55263 | Adenosine kinase | 91.47% | 98.05% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.70% | 94.73% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 89.70% | 95.64% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 89.53% | 93.10% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.67% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.62% | 89.00% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 85.99% | 80.33% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 84.80% | 82.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.74% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.55% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.41% | 94.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.37% | 95.83% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.26% | 94.33% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 81.68% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.48% | 89.34% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.26% | 96.90% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.19% | 98.46% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 85982704 |
| LOTUS | LTS0078471 |
| wikiData | Q105364228 |