(2R,3R)-2-methyl-4-(7H-purin-6-ylamino)butane-1,2,3-triol
Internal ID | 133f02a8-0295-497a-8720-b451426a551b |
Taxonomy | Organoheterocyclic compounds > Imidazopyrimidines > Purines and purine derivatives > 6-aminopurines > 6-alkylaminopurines |
IUPAC Name | (2R,3R)-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) | C[C@@](CO)([C@@H](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)/t6-,10-/m1/s1 |
InChI Key | FKHYWNLUSRZJFP-LHLIQPBNSA-N |
Popularity | 0 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 |
There are no found synonyms. |
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 | 163190881 |
LOTUS | LTS0209841 |
wikiData | Q104996612 |