N-[2-[[2-(1,2-dihydroxyethyl)-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadec-9-enamide
| Internal ID | b5cbc11f-02b1-4a6b-9d95-f57efe7debf1 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Glycosylamines |
| IUPAC Name | N-[2-[[2-(1,2-dihydroxyethyl)-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadec-9-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H49N7O7/c1-19(2)13-11-9-7-5-3-4-6-8-10-12-14-21(40)31-15-22(41)36-23-25(42)26(43)30(44-27(23)20(39)16-38)37-29-24-28(33-17-32-24)34-18-35-29/h5,7,17-20,23,25-27,30,38-39,42-43H,3-4,6,8-16H2,1-2H3,(H,31,40)(H,36,41)(H2,32,33,34,35,37) |
| InChI Key | MHXSLJSEZYHPNN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H49N7O7 |
| Molecular Weight | 619.80 g/mol |
| Exact Mass | 619.36934693 g/mol |
| Topological Polar Surface Area (TPSA) | 215.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of N-[2-[[2-(1,2-dihydroxyethyl)-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadec-9-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/27f228e0-8614-11ee-adc5-ed092c4f37ba.jpg "2D Structure of N-[2-[[2-(1,2-dihydroxyethyl)-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadec-9-enamide")
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 99.08% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.96% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.51% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.38% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.11% | 89.63% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.78% | 83.82% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 94.33% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.71% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.14% | 99.23% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 92.97% | 93.10% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.90% | 90.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.00% | 96.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.46% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.18% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.03% | 89.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 89.84% | 98.05% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 89.18% | 95.71% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 88.00% | 94.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.82% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.95% | 94.45% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.77% | 96.90% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 84.44% | 92.29% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.40% | 95.89% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.96% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.75% | 93.56% |
| CHEMBL4662 | P28074 | Proteasome Macropain subunit MB1 | 81.05% | 93.85% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.02% | 94.33% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.76% | 96.37% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.61% | 90.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.60% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.36% | 92.88% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.03% | 95.56% |
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compound!
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| There are no matching plants. |
| PubChem | 72973073 |
| LOTUS | LTS0124529 |
| wikiData | Q104171708 |