2-Methyl-4-[(7H-purin-6-yl)amino]butane-1,2,3-triol
| Internal ID | 9ac50f39-ad14-44e2-b6c4-5be87d3a329b |
| Taxonomy | Organoheterocyclic compounds > Imidazopyrimidines > Purines and purine derivatives > 6-aminopurines > 6-alkylaminopurines |
| IUPAC Name | 2-methyl-4-(7H-purin-6-ylamino)butane-1,2,3-triol |
| SMILES (Canonical) | CC(CO)(C(CNC1=NC=NC2=C1NC=N2)O)O |
| SMILES (Isomeric) | CC(CO)(C(CNC1=NC=NC2=C1NC=N2)O)O |
| InChI | InChI=1S/C10H15N5O3/c1-10(18,3-16)6(17)2-11-8-7-9(13-4-12-7)15-5-14-8/h4-6,16-18H,2-3H2,1H3,(H2,11,12,13,14,15) |
| InChI Key | FKHYWNLUSRZJFP-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C10H15N5O3 |
| Molecular Weight | 253.26 g/mol |
| Exact Mass | 253.11748936 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | -0.80 |
| 2-Methyl-4-[(7H-purin-6-yl)amino]butane-1,2,3-triol |
| DTXSID30706785 |
| 6-(2,3,4-trihydroxy-3-methylbutylamino) purine |
![2D Structure of 2-Methyl-4-[(7H-purin-6-yl)amino]butane-1,2,3-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-methyl-4-7h-purin-6-ylaminobutane-123-triol.jpg "2D Structure of 2-Methyl-4-[(7H-purin-6-yl)amino]butane-1,2,3-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.01% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.49% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.18% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.93% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.75% | 97.25% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.46% | 96.90% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.60% | 98.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.33% | 91.11% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.52% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.12% | 89.34% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 82.73% | 97.23% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 81.75% | 94.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.55% | 92.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.95% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.85% | 86.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.76% | 100.00% |
| PubChem | 53803908 |
| LOTUS | LTS0208292 |
| wikiData | Q82640317 |