(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(5-hydroxy-2-pyridinyl)-methylamino]purin-9-yl]oxolane-3,4-diol
| Internal ID | f5c53fae-bb47-442a-af77-20b8f41b2350 |
| Taxonomy | Nucleosides, nucleotides, and analogues > Purine nucleosides |
| IUPAC Name | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(5-hydroxy-2-pyridinyl)-methylamino]purin-9-yl]oxolane-3,4-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H18N6O5/c1-21(10-3-2-8(24)4-17-10)14-11-15(19-6-18-14)22(7-20-11)16-13(26)12(25)9(5-23)27-16/h2-4,6-7,9,12-13,16,23-26H,5H2,1H3/t9-,12-,13-,16-/m1/s1 |
| InChI Key | NIFJSSMEWLOYAH-RVXWVPLUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H18N6O5 |
| Molecular Weight | 374.35 g/mol |
| Exact Mass | 374.13386770 g/mol |
| Topological Polar Surface Area (TPSA) | 150.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(5-hydroxy-2-pyridinyl)-methylamino]purin-9-yl]oxolane-3,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/a60c3b10-86e9-11ee-92e9-1783395478e3.jpg "2D Structure of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(5-hydroxy-2-pyridinyl)-methylamino]purin-9-yl]oxolane-3,4-diol")
| 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 | 97.90% | 96.09% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 97.42% | 93.10% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 96.34% | 95.64% |
| CHEMBL3589 | P55263 | Adenosine kinase | 95.63% | 98.05% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.66% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.05% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.60% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.09% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.32% | 94.00% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 88.99% | 98.46% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 88.65% | 88.00% |
| CHEMBL5524 | Q99873 | Protein-arginine N-methyltransferase 1 | 88.59% | 96.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.72% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.14% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.36% | 86.33% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 83.27% | 95.48% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.09% | 93.65% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.18% | 95.89% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 80.69% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 163195281 |
| LOTUS | LTS0101352 |
| wikiData | Q105179784 |