5-[[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]amino]imidazole-2,4-dione
| Internal ID | bc2b7e7e-d5fa-4705-ba6e-a53f559df11e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 5-[[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]amino]imidazole-2,4-dione |
| SMILES (Canonical) | COC1=CC=C(C=C1)CC2=CN(C(=N2)NC3=NC(=O)NC3=O)CC4=CC=C(C=C4)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)CC2=CN(C(=N2)NC3=NC(=O)NC3=O)CC4=CC=C(C=C4)O |
| InChI | InChI=1S/C21H19N5O4/c1-30-17-8-4-13(5-9-17)10-15-12-26(11-14-2-6-16(27)7-3-14)20(22-15)23-18-19(28)25-21(29)24-18/h2-9,12,27H,10-11H2,1H3,(H2,22,23,24,25,28,29) |
| InChI Key | DUVWQFLGSQEPQQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H19N5O4 |
| Molecular Weight | 405.40 g/mol |
| Exact Mass | 405.14370410 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 5-[[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]amino]imidazole-2,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/5-1-4-hydroxyphenylmethyl-4-4-methoxyphenylmethylimidazol-2-ylaminoimidazole-24-dione.jpg "2D Structure of 5-[[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]amino]imidazole-2,4-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.41% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.19% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.64% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.02% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.36% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.11% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.27% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 93.08% | 93.10% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.08% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.04% | 96.77% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.33% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.11% | 95.89% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.54% | 92.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.83% | 86.33% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.57% | 85.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.81% | 91.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.43% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.32% | 95.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 478881 |
| LOTUS | LTS0080959 |
| wikiData | Q104989482 |