6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-3,7-dihydropurin-2-one
| Internal ID | 70cc0ea3-f08a-4992-b73f-927554d29aa1 |
| Taxonomy | Organoheterocyclic compounds > Imidazopyrimidines > Purines and purine derivatives > 6-aminopurines > 6-alkylaminopurines |
| IUPAC Name | 6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-3,7-dihydropurin-2-one |
| SMILES (Canonical) | CC(=CCNC1=NC(=O)NC2=C1NC=N2)CO |
| SMILES (Isomeric) | C/C(=C\CNC1=NC(=O)NC2=C1NC=N2)/CO |
| InChI | InChI=1S/C10H13N5O2/c1-6(4-16)2-3-11-8-7-9(13-5-12-7)15-10(17)14-8/h2,5,16H,3-4H2,1H3,(H3,11,12,13,14,15,17)/b6-2+ |
| InChI Key | XZYRNRSNLQFOSY-QHHAFSJGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H13N5O2 |
| Molecular Weight | 235.24 g/mol |
| Exact Mass | 235.10692467 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
![2D Structure of 6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-3,7-dihydropurin-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-e-4-hydroxy-3-methylbut-2-enylamino-37-dihydropurin-2-one.jpg "2D Structure of 6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-3,7-dihydropurin-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.51% | 94.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.11% | 89.34% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.01% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.26% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.66% | 99.23% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 88.57% | 95.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.89% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.13% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.45% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.83% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.58% | 96.09% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.41% | 96.90% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.98% | 88.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.84% | 94.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.66% | 92.29% |
| PubChem | 117628994 |
| LOTUS | LTS0068686 |
| wikiData | Q105182013 |