2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid
| Internal ID | 88cd63b8-efb3-409c-b8f6-adece6c62513 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alanine and derivatives |
| IUPAC Name | 2-(1-carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12) |
| InChI Key | IMXSCCDUAFEIOE-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C9H18N4O4 |
| Molecular Weight | 246.26 g/mol |
| Exact Mass | 246.13280507 g/mol |
| Topological Polar Surface Area (TPSA) | 151.00 Ų |
| XlogP | -3.70 |
| 2-(1-carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid |
| SCHEMBL638492 |
| 5-(amidinoamino)-2-[(carboxyethyl)amino]pentanoic acid |
| CHEBI:182149 |
| NSC367090 |
| AKOS015893948 |
| NSC-367090 |
| FT-0673212 |
| Q2013941 |
| 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 | 97.39% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.06% | 83.82% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 92.88% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.86% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.71% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.47% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.47% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.14% | 93.56% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 88.45% | 97.88% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.96% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.79% | 96.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.79% | 97.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.56% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.52% | 90.71% |
| CHEMBL4072 | P07858 | Cathepsin B | 85.01% | 93.67% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.08% | 100.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.40% | 92.29% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.07% | 87.45% |
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 | 427 |
| LOTUS | LTS0070940 |
| wikiData | Q96582274 |