N-(2,2-diphenylethyl)-2,9-dimethylpurin-6-amine
| Internal ID | 46129c0f-22f9-451c-8b5b-1e110f8041ab |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylmethanes |
| IUPAC Name | N-(2,2-diphenylethyl)-2,9-dimethylpurin-6-amine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H21N5/c1-15-24-20(19-21(25-15)26(2)14-23-19)22-13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14,18H,13H2,1-2H3,(H,22,24,25) |
| InChI Key | OGTIAUUKWWUSMT-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H21N5 |
| Molecular Weight | 343.40 g/mol |
| Exact Mass | 343.17969569 g/mol |
| Topological Polar Surface Area (TPSA) | 55.60 Ų |
| XlogP | 4.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.94% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.39% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.49% | 86.33% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 90.39% | 92.97% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.96% | 90.17% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 87.86% | 93.81% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 87.79% | 96.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.58% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.19% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.56% | 94.73% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.90% | 94.62% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.15% | 93.65% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.38% | 100.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.18% | 95.17% |
| CHEMBL3055 | P50613 | Cyclin-dependent kinase 7 | 83.03% | 81.88% |
| CHEMBL240 | Q12809 | HERG | 82.58% | 89.76% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.41% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.31% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.92% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.84% | 90.00% |
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 | 163105357 |
| LOTUS | LTS0072305 |
| wikiData | Q105191843 |