Methyl 2-amino-3-(1H-imidazol-4-yl)propanoate
| Internal ID | 9b90caee-e987-4b02-93cd-bd84e65a31a6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Histidine and derivatives |
| IUPAC Name | methyl 2-amino-3-(1H-imidazol-5-yl)propanoate |
| SMILES (Canonical) | COC(=O)C(CC1=CN=CN1)N |
| SMILES (Isomeric) | COC(=O)C(CC1=CN=CN1)N |
| InChI | InChI=1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10) |
| InChI Key | BXRMEWOQUXOLDH-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C7H11N3O2 |
| Molecular Weight | 169.18 g/mol |
| Exact Mass | 169.085126602 g/mol |
| Topological Polar Surface Area (TPSA) | 81.00 Ų |
| XlogP | -0.60 |
| RefChem:817820 |
| histidine methyl ester, (DL)- |
| Methyl 2-amino-3-(1H-imidazol-4-yl)propanoate |
| methyl 2-amino-3-imidazol-5-ylpropanoate |
| H-D-His-OMe 2 HCl |
| Methyl L-histidinate HCl |
| l-histidine methylate |
| Histidine, methyl ester |
| SCHEMBL833709 |
| SCHEMBL1581156 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.95% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.75% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.40% | 94.45% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 91.53% | 92.29% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.44% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.02% | 99.17% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.66% | 98.59% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.30% | 85.14% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.95% | 94.00% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 83.39% | 91.38% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.44% | 90.20% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.97% | 93.03% |
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 | 437593 |
| LOTUS | LTS0110962 |
| wikiData | Q27139216 |