2-Amino-4-[3-(2-carboxyazetidin-1-yl)propylamino]pentanedioic acid
| Internal ID | 01d52a7a-db9a-42c8-8c7e-5bb14439f56b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamic acid and derivatives |
| IUPAC Name | 2-amino-4-[3-(2-carboxyazetidin-1-yl)propylamino]pentanedioic acid |
| SMILES (Canonical) | C1CN(C1C(=O)O)CCCNC(CC(C(=O)O)N)C(=O)O |
| SMILES (Isomeric) | C1CN(C1C(=O)O)CCCNC(CC(C(=O)O)N)C(=O)O |
| InChI | InChI=1S/C12H21N3O6/c13-7(10(16)17)6-8(11(18)19)14-3-1-4-15-5-2-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21) |
| InChI Key | SHVGFPYBLKGSOO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H21N3O6 |
| Molecular Weight | 303.31 g/mol |
| Exact Mass | 303.14303540 g/mol |
| Topological Polar Surface Area (TPSA) | 153.00 Ų |
| XlogP | -8.20 |
| There are no found synonyms. |
![2D Structure of 2-Amino-4-[3-(2-carboxyazetidin-1-yl)propylamino]pentanedioic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-amino-4-3-2-carboxyazetidin-1-ylpropylaminopentanedioic-acid.jpg "2D Structure of 2-Amino-4-[3-(2-carboxyazetidin-1-yl)propylamino]pentanedioic acid")
| 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 | 98.56% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.21% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.53% | 90.17% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 92.44% | 96.03% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 90.51% | 98.33% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 90.17% | 98.24% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 88.96% | 95.58% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.40% | 95.62% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.22% | 83.82% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 87.15% | 92.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.54% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.13% | 96.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.85% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.52% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.93% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.65% | 93.56% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.56% | 98.10% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.09% | 95.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.45% | 93.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 83.21% | 99.35% |
| CHEMBL234 | P35462 | Dopamine D3 receptor | 82.94% | 90.48% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.70% | 91.19% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.40% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.31% | 97.09% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.03% | 94.00% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 80.57% | 98.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.19% | 95.89% |
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.
| Nicotiana tabacum |
| PubChem | 162962111 |
| LOTUS | LTS0264678 |
| wikiData | Q105253225 |