N-(2-Aminoethyl)glycine
| Internal ID | 8d550e7b-82f2-41f2-bd02-1d5731b5fbcb |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids |
| IUPAC Name | 2-(2-aminoethylamino)acetic acid |
| SMILES (Canonical) | C(CNCC(=O)O)N |
| SMILES (Isomeric) | C(CNCC(=O)O)N |
| InChI | InChI=1S/C4H10N2O2/c5-1-2-6-3-4(7)8/h6H,1-3,5H2,(H,7,8) |
| InChI Key | PIINGYXNCHTJTF-UHFFFAOYSA-N |
| Popularity | 217 references in papers |
| Molecular Formula | C4H10N2O2 |
| Molecular Weight | 118.13 g/mol |
| Exact Mass | 118.074227566 g/mol |
| Topological Polar Surface Area (TPSA) | 75.40 Ų |
| XlogP | -3.80 |
| Atomic LogP (AlogP) | -1.38 |
| H-Bond Acceptor | 3 |
| H-Bond Donor | 3 |
| Rotatable Bonds | 4 |
| 24123-14-6 |
| 2-((2-Aminoethyl)amino)acetic acid |
| 2-(2-aminoethylamino)acetic acid |
| N-beta-aminoethyl-Gly-OH |
| Glycine, N-(2-aminoethyl)- |
| (2-Aminoethyl)glycine |
| n-(2-aminoethyl)-glycine |
| 2-[(2-aminoethyl)amino]acetic acid |
| 1189485-63-9 |
| Glycine,N-(2-aminoethyl)- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.7556 | 75.56% |
| Caco-2 | + | 0.5558 | 55.58% |
| Blood Brain Barrier | + | 0.6250 | 62.50% |
| Human oral bioavailability | + | 0.7286 | 72.86% |
| Subcellular localzation | Lysosomes | 0.6398 | 63.98% |
| OATP2B1 inhibitior | - | 0.8590 | 85.90% |
| OATP1B1 inhibitior | + | 0.9513 | 95.13% |
| OATP1B3 inhibitior | + | 0.9538 | 95.38% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 0.9250 | 92.50% |
| BSEP inhibitior | - | 0.9670 | 96.70% |
| P-glycoprotein inhibitior | - | 0.9835 | 98.35% |
| P-glycoprotein substrate | - | 0.8816 | 88.16% |
| CYP3A4 substrate | - | 0.7773 | 77.73% |
| CYP2C9 substrate | - | 0.6012 | 60.12% |
| CYP2D6 substrate | - | 0.7804 | 78.04% |
| CYP3A4 inhibition | - | 0.9396 | 93.96% |
| CYP2C9 inhibition | - | 0.9557 | 95.57% |
| CYP2C19 inhibition | - | 0.9493 | 94.93% |
| CYP2D6 inhibition | - | 0.9768 | 97.68% |
| CYP1A2 inhibition | - | 0.9279 | 92.79% |
| CYP2C8 inhibition | - | 0.9716 | 97.16% |
| CYP inhibitory promiscuity | - | 0.9898 | 98.98% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.6020 | 60.20% |
| Carcinogenicity (trinary) | Non-required | 0.6697 | 66.97% |
| Eye corrosion | + | 0.6638 | 66.38% |
| Eye irritation | + | 0.8709 | 87.09% |
| Skin irritation | - | 0.5142 | 51.42% |
| Skin corrosion | - | 0.5000 | 50.00% |
| Ames mutagenesis | - | 0.7100 | 71.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7713 | 77.13% |
| Micronuclear | - | 0.8700 | 87.00% |
| Hepatotoxicity | - | 0.7500 | 75.00% |
| skin sensitisation | - | 0.7446 | 74.46% |
| Respiratory toxicity | + | 0.7778 | 77.78% |
| Reproductive toxicity | - | 0.7202 | 72.02% |
| Mitochondrial toxicity | + | 0.8500 | 85.00% |
| Nephrotoxicity | - | 0.7008 | 70.08% |
| Acute Oral Toxicity (c) | III | 0.7867 | 78.67% |
| Estrogen receptor binding | - | 0.9715 | 97.15% |
| Androgen receptor binding | - | 0.9392 | 93.92% |
| Thyroid receptor binding | - | 0.8857 | 88.57% |
| Glucocorticoid receptor binding | - | 0.9059 | 90.59% |
| Aromatase binding | - | 0.8486 | 84.86% |
| PPAR gamma | - | 0.7751 | 77.51% |
| Honey bee toxicity | - | 0.9937 | 99.37% |
| Biodegradation | + | 0.6250 | 62.50% |
| Crustacea aquatic toxicity | - | 0.7700 | 77.00% |
| Fish aquatic toxicity | - | 0.9841 | 98.41% |
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 | 93.23% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.47% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.98% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.02% | 91.11% |
| CHEMBL1938211 | O15054 | Lysine-specific demethylase 6B | 82.48% | 83.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.27% | 100.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.53% | 90.20% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.19% | 96.95% |
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.
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| There are no matching plants. |
| PubChem | 428913 |
| LOTUS | LTS0098211 |
| wikiData | Q72436774 |